1-[2-[(2-nitro-5-propylsulfanyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(2-nitro-5-propylsulfanyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[2-(2-nitro-5-propylsulfanyl-anilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-[2-nitro-5-(propylthio)anilino]-2-oxoethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-(2-nitro-5-propylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-keto-2-[2-nitro-5-(propylthio)anilino]ethyl]isonipecotamide Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O4S/c1-2-14-33-20-8-9-22(28(31)32)21(15-20)26-23(29)17-27-12-10-19(11-13-27)24(30)25-16-18-6-4-3-5-7-18/h3-9,15,19H,2,10-14,16-17H2,1H3,(H,25,30)(H,26,29)