N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide

Systemtic Name: N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide Openeye Name: N-[3-[1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: N-[3-[[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]butanamide IUPAC Name: N-[3-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]butyramide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-4-6-19(24)21-15-7-5-8-17(11-15)28-14(3)20(25)22-18-12-16(23(26)27)10-9-13(18)2/h5,7-12,14H,4,6H2,1-3H3,(H,21,24)(H,22,25)