azepan-1-yl-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanone Openeye Name: azepan-1-yl-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanone CAS Name: 1-azepanyl-[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanone Traditional Name: azepan-1-yl-[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]methanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3OS/c25-20(24-13-5-1-2-6-14-24)17-11-9-16(10-12-17)15-26-21-22-18-7-3-4-8-19(18)23-21/h3-4,7-12H,1-2,5-6,13-15H2,(H,22,23)