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Summary

Name:	8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
Formula:	C22 H19 Cl N2 O3 S
Formal charge:	0
Formula weight:	426.916 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
OpenEye OEToolkits	1.7.0	8-acetamido-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1N(C(=O)c3sc2c4ccc(NC(=O)C)cc4OCCc2c3)C
SMILES_CANONICAL	CACTVS	3.370	CN(C(=O)c1sc2c(CCOc3cc(NC(C)=O)ccc23)c1)c4ccccc4Cl
SMILES	CACTVS	3.370	CN(C(=O)c1sc2c(CCOc3cc(NC(C)=O)ccc23)c1)c4ccccc4Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl
SMILES	OpenEye OEToolkits	1.7.0	CC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl
InChI	InChI	1.03	InChI=1S/C22H19ClN2O3S/c1-13(26)24-15-7-8-16-19(12-15)28-10-9-14-11-20(29-21(14)16)22(27)25(2)18-6-4-3-5-17(18)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)
InChIKey	InChI	1.03	RTUHEKLMDKJAQG-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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