(3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-oxidanylidene-1-(3-phenylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-oxidanylidene-1-(3-phenylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-1-(3-phenylpropyl)nipecotamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2CCC(=O)N(C2)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)[C@H]2CCC(=O)N(C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-24-14-11-23-21(24)28-15-12-22-20(27)18-9-10-19(26)25(16-18)13-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,14,18H,5,8-10,12-13,15-16H2,1H3,(H,22,27)/t18-/m0/s1