(3S)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxidanylidene-1-(3-phenylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxidanylidene-1-(3-phenylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-N-[(4-methylthiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide CAS Name: (3S)-N-methyl-N-[(4-methyl-2-thiazolyl)methyl]-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-methyl-N-[(4-methylthiazol-2-yl)methyl]-1-(3-phenylpropyl)nipecotamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CN(C)C(=O)C2CCC(=O)N(C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=N1)CN(C)C(=O)[C@H]2CCC(=O)N(C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-16-15-27-19(22-16)14-23(2)21(26)18-10-11-20(25)24(13-18)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,15,18H,6,9-14H2,1-2H3/t18-/m0/s1