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

Systemtic Name: N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[1-[(2-methyl-5-nitro-phenyl)carbamoyl]propylsulfanyl]phenyl]pentanamide CAS Name: N-[3-[[1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]pentanamide IUPAC Name: N-[3-[1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[1-[(2-methyl-5-nitro-phenyl)carbamoyl]propylthio]phenyl]valeramide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-4-6-10-21(26)23-16-8-7-9-18(13-16)30-20(5-2)22(27)24-19-14-17(25(28)29)12-11-15(19)3/h7-9,11-14,20H,4-6,10H2,1-3H3,(H,23,26)(H,24,27)