2-[4-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]piperidin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]piperidin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-1-piperidyl]-N-phenyl-acetamide CAS Name: 2-[4-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]-1-piperidinyl]-N-phenylacetamide IUPAC Name: 2-[4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]piperidino]-N-phenyl-acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O2S/c1-17-8-9-21(14-18(17)2)29-16-23(28)25-20-10-12-26(13-11-20)15-22(27)24-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)