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

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-methyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-N-methyl-4-(methylthio)-3-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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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)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-12-6-5-7-13(2)18(12)20-17(23)11-21(3)19(24)14-8-9-16(27-4)15(10-14)22(25)26/h5-10H,11H2,1-4H3,(H,20,23)