N-(4-phenylbutan-2-yl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide

Systemtic Name: N-(4-phenylbutan-2-yl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide Openeye Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(1-methyl-3-phenyl-propyl)piperidine-4-carboxamide CAS Name: N-(4-phenylbutan-2-yl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinecarboxamide IUPAC Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide Traditional Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(1-methyl-3-phenyl-propyl)isonipecotamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-19(12-13-20-8-4-2-5-9-20)26-24(30)22-14-16-29(17-15-22)25-27-23(28-31-25)18-21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3,(H,26,30)