N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS/c1-16-9-8-13-19(17(16)2)24-22(27)15-28-23-25-20-12-6-7-14-21(20)26(23)18-10-4-3-5-11-18/h3-7,10-12,14,16-17,19H,8-9,13,15H2,1-2H3,(H,24,27)/t16-,17+,19+/m0/s1