N-(1,3-benzodioxol-5-yl)-1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-keto-2-[2-(phenylthio)anilino]ethyl]isonipecotamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4S/c31-26(29-22-8-4-5-9-25(22)35-21-6-2-1-3-7-21)17-30-14-12-19(13-15-30)27(32)28-20-10-11-23-24(16-20)34-18-33-23/h1-11,16,19H,12-15,17-18H2,(H,28,32)(H,29,31)