N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-4-isopentylsulfanyl-N-methyl-3-nitro-benzamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-4-(isoamylthio)-N-methyl-3-nitro-benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O4S/c1-15(2)11-12-31-20-10-9-18(13-19(20)26(29)30)23(28)25(5)14-21(27)24-22-16(3)7-6-8-17(22)4/h6-10,13,15H,11-12,14H2,1-5H3,(H,24,27)