N-(2-methyl-4-nitro-phenyl)-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pentanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pentanamide Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-N-(2-methyl-4-nitro-phenyl)pentanamide CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-N-(2-methyl-4-nitrophenyl)pentanamide IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-methyl-4-nitrophenyl)pentanamide Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-N-(2-methyl-4-nitro-phenyl)valeramide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4S/c1-3-7-18(28-13-19(24)21-15-8-5-4-6-9-15)20(25)22-17-11-10-16(23(26)27)12-14(17)2/h4-6,8-12,18H,3,7,13H2,1-2H3,(H,21,24)(H,22,25)