(3S)-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-ethanoyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-ethanoyl-piperidine-3-carboxamide Openeye Name: (3S)-1-acetyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]piperidine-3-carboxamide CAS Name: (3S)-1-acetyl-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-acetyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-acetyl-N-[4-[(3,4-dimethylphenyl)thio]phenyl]nipecotamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)[C@H]3CCCN(C3)C(=O)C)C

InChI

InChI=1S/C22H26N2O2S/c1-15-6-9-21(13-16(15)2)27-20-10-7-19(8-11-20)23-22(26)18-5-4-12-24(14-18)17(3)25/h6-11,13,18H,4-5,12,14H2,1-3H3,(H,23,26)/t18-/m0/s1