2-ethylsulfanyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenyl-propyl]pyridine-3-carboxamide

Systemtic Name: 2-ethylsulfanyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenyl-propyl]pyridine-3-carboxamide Openeye Name: 2-ethylsulfanyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]-1-piperidyl]-1-phenyl-propyl]pyridine-3-carboxamide CAS Name: 2-(ethylthio)-N-[3-[4-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-piperidinyl]-1-phenylpropyl]-3-pyridinecarboxamide IUPAC Name: 2-ethylsulfanyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]pyridine-3-carboxamide Traditional Name: 2-(ethylthio)-N-[3-[4-[3-(isobutyrylamino)phenyl]piperidino]-1-phenyl-propyl]nicotinamide Formula: C32H40N4O2S MolecularWeight: 544.7506

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC(CCN2CCC(CC2)C3=CC(=CC=C3)NC(=O)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NC(CCN2CCC(CC2)C3=CC(=CC=C3)NC(=O)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C32H40N4O2S/c1-4-39-32-28(14-9-18-33-32)31(38)35-29(25-10-6-5-7-11-25)17-21-36-19-15-24(16-20-36)26-12-8-13-27(22-26)34-30(37)23(2)3/h5-14,18,22-24,29H,4,15-17,19-21H2,1-3H3,(H,34,37)(H,35,38)