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

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-11-5-4-6-12(2)17(11)20-16(22)10-19-18(23)13-7-8-15(26-3)14(9-13)21(24)25/h4-9H,10H2,1-3H3,(H,19,23)(H,20,22)