N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-methylphenyl)adamantane-1-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(p-tolyl)adamantane-1-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(p-tolyl)adamantane-1-carboxamide Formula: C29H35N3OS MolecularWeight: 473.6727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC(CCSC)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N[C@@H](CCSC)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H35N3OS/c1-19-7-9-22(10-8-19)28-14-20-13-21(15-28)17-29(16-20,18-28)27(33)32-25(11-12-34-2)26-30-23-5-3-4-6-24(23)31-26/h3-10,20-21,25H,11-18H2,1-2H3,(H,30,31)(H,32,33)/t20?,21?,25-,28?,29?/m0/s1