2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(phenylmethyl)pentanamide

Systemtic Name: 2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(phenylmethyl)pentanamide Openeye Name: N-benzyl-2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanyl-pentanamide CAS Name: 2-[[2-(2-nitroanilino)-2-oxoethyl]thio]-N-(phenylmethyl)pentanamide IUPAC Name: N-benzyl-2-[2-(2-nitroanilino)-2-oxoethyl]sulfanylpentanamide Traditional Name: N-benzyl-2-[[2-keto-2-(2-nitroanilino)ethyl]thio]valeramide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC1=CC=CC=C1)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)NCC1=CC=CC=C1)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-2-8-18(20(25)21-13-15-9-4-3-5-10-15)28-14-19(24)22-16-11-6-7-12-17(16)23(26)27/h3-7,9-12,18H,2,8,13-14H2,1H3,(H,21,25)(H,22,24)