2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-cyclopropyl-ethanamide

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]-N-cyclopropyl-acetamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)NC2CC2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)NC2CC2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N3OS2/c1-13-14(11-26-20-22-16-6-2-3-7-17(16)23-20)5-4-8-18(13)25-12-19(24)21-15-9-10-15/h2-8,15H,9-12H2,1H3,(H,21,24)(H,22,23)