English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

ITD

Summary

Name:	(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate
Formula:	C21 H34 N4 S2
Formal charge:	0
Formula weight:	406.651 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate
OpenEye OEToolkits	1.7.0	(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N2=C1SC=C(N1CC2(C)C)CS\C(=N/C3CCCCC3)NC4CCCCC4
SMILES_CANONICAL	CACTVS	3.370	CC1(C)CN2C(=CSC2=N1)CSC(NC3CCCCC3)=NC4CCCCC4
SMILES	CACTVS	3.370	CC1(C)CN2C(=CSC2=N1)CSC(NC3CCCCC3)=NC4CCCCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C
SMILES	OpenEye OEToolkits	1.7.0	CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCC3)NC4CCCCC4)C
InChI	InChI	1.03	InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)
InChIKey	InChI	1.03	OOSUDWRRWZVFEB-UHFFFAOYSA-N

220113

PDB entries from 2024-05-22

PDB statistics

PDBj update info

Contact PDBj

numon