N-[(2R)-3-methylsulfanyl-1-oxidanylidene-1-[4-(3-oxidanyl-3-phenyl-propyl)piperazin-1-yl]propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(2R)-3-methylsulfanyl-1-oxidanylidene-1-[4-(3-oxidanyl-3-phenyl-propyl)piperazin-1-yl]propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1R)-2-[4-(3-hydroxy-3-phenyl-propyl)piperazin-1-yl]-1-(methylsulfanylmethyl)-2-oxo-ethyl]pyridine-3-carboxamide CAS Name: N-[(2R)-1-[4-(3-hydroxy-3-phenylpropyl)-1-piperazinyl]-3-(methylthio)-1-oxopropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(2R)-1-[4-(3-hydroxy-3-phenylpropyl)piperazin-1-yl]-3-methylsulfanyl-1-oxopropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1R)-2-[4-(3-hydroxy-3-phenyl-propyl)piperazino]-2-keto-1-[(methylthio)methyl]ethyl]nicotinamide Formula: C23H30N4O3S MolecularWeight: 442.5743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)N1CCN(CC1)CCC(C2=CC=CC=C2)O)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CSC[C@@H](C(=O)N1CCN(CC1)CCC(C2=CC=CC=C2)O)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H30N4O3S/c1-31-17-20(25-22(29)19-8-5-10-24-16-19)23(30)27-14-12-26(13-15-27)11-9-21(28)18-6-3-2-4-7-18/h2-8,10,16,20-21,28H,9,11-15,17H2,1H3,(H,25,29)/t20-,21?/m0/s1