3-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

Systemtic Name: 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide Openeye Name: 3-methyl-2-(m-tolylmethylsulfanyl)-N-(2-thienylmethyl)benzimidazole-5-carboxamide CAS Name: 3-methyl-2-[(3-methylphenyl)methylthio]-N-(thiophen-2-ylmethyl)-5-benzimidazolecarboxamide IUPAC Name: 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide Traditional Name: 3-methyl-2-[(3-methylbenzyl)thio]-N-(2-thenyl)benzimidazole-5-carboxamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(N2C)C=C(C=C3)C(=O)NCC4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(N2C)C=C(C=C3)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H21N3OS2/c1-15-5-3-6-16(11-15)14-28-22-24-19-9-8-17(12-20(19)25(22)2)21(26)23-13-18-7-4-10-27-18/h3-12H,13-14H2,1-2H3,(H,23,26)