N-(3-methylsulfanylphenyl)-4-[1-(phenylmethyl)benzimidazol-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-[1-(phenylmethyl)benzimidazol-2-yl]piperazine-1-carboxamide Openeye Name: 4-(1-benzylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-[1-(phenylmethyl)-2-benzimidazolyl]-1-piperazinecarboxamide IUPAC Name: 4-(1-benzylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(1-benzylbenzimidazol-2-yl)-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C26H27N5OS/c1-33-22-11-7-10-21(18-22)27-26(32)30-16-14-29(15-17-30)25-28-23-12-5-6-13-24(23)31(25)19-20-8-3-2-4-9-20/h2-13,18H,14-17,19H2,1H3,(H,27,32)