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

WPU

Summary

Name:	(3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione
Formula:	C11 H8 Cl2 N2 O2 S
Formal charge:	0
Formula weight:	303.164 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione
OpenEye OEToolkits	2.0.7	(3~{R},7~{a}~{S})-3-(3,4-dichlorophenyl)-3,7~{a}-dihydro-1~{H}-imidazo[1,5-c][1,3]thiazole-5,7-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1Cl)C1SCC2C(=O)NC(=O)N12
InChI	InChI	1.06	InChI=1S/C11H8Cl2N2O2S/c12-6-2-1-5(3-7(6)13)10-15-8(4-18-10)9(16)14-11(15)17/h1-3,8,10H,4H2,(H,14,16,17)/t8-,10-/m1/s1
InChIKey	InChI	1.06	ILQMZMXREJZGHA-PSASIEDQSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(cc1Cl)[C@H]2SC[C@H]3N2C(=O)NC3=O
SMILES	CACTVS	3.385	Clc1ccc(cc1Cl)[CH]2SC[CH]3N2C(=O)NC3=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1[C@@H]2N3[C@H](CS2)C(=O)NC3=O)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C2N3C(CS2)C(=O)NC3=O)Cl)Cl

222624

PDB entries from 2024-07-17

PDB statistics

PDBj update info

Contact PDBj

numon