N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]pentanamide

Systemtic Name: N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[1-[(4-nitrophenyl)carbamoyl]propylsulfanyl]phenyl]pentanamide CAS Name: N-[3-[[1-(4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]pentanamide IUPAC Name: N-[3-[1-(4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[1-[(4-nitrophenyl)carbamoyl]propylthio]phenyl]valeramide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-3-5-9-20(25)22-16-7-6-8-18(14-16)29-19(4-2)21(26)23-15-10-12-17(13-11-15)24(27)28/h6-8,10-14,19H,3-5,9H2,1-2H3,(H,22,25)(H,23,26)