N-methyl-4-(methylamino)-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-methyl-4-(methylamino)-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-methyl-4-(methylamino)-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-methyl-4-(methylamino)-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-methyl-4-(methylamino)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-4-(methylamino)-3-nitro-benzamide Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c1-19-13-9-8-12(10-15(13)22(25)26)18(24)21(2)11-17(23)20-14-6-4-5-7-16(14)27-3/h4-10,19H,11H2,1-3H3,(H,20,23)