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

Systemtic Name: 3,3-dimethyl-N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[3-[1-[(4-nitrophenyl)carbamoyl]propylsulfanyl]phenyl]butanamide CAS Name: 3,3-dimethyl-N-[3-[[1-(4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[3-[1-(4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]butanamide Traditional Name: 3,3-dimethyl-N-[3-[1-[(4-nitrophenyl)carbamoyl]propylthio]phenyl]butyramide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C22H27N3O4S/c1-5-19(21(27)24-15-9-11-17(12-10-15)25(28)29)30-18-8-6-7-16(13-18)23-20(26)14-22(2,3)4/h6-13,19H,5,14H2,1-4H3,(H,23,26)(H,24,27)