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

Systemtic Name: 3,3-dimethyl-N-[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylsulfanyl]phenyl]butanamide CAS Name: 3,3-dimethyl-N-[3-[[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[3-[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]butanamide Traditional Name: 3,3-dimethyl-N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylthio]phenyl]butyramide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-6-20(22(28)25-19-11-10-17(26(29)30)12-15(19)2)31-18-9-7-8-16(13-18)24-21(27)14-23(3,4)5/h7-13,20H,6,14H2,1-5H3,(H,24,27)(H,25,28)