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

Systemtic Name: 4-(cyclopropylamino)-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-3-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-23(12-19(25)22-16-5-3-4-6-18(16)29-2)20(26)13-7-10-15(21-14-8-9-14)17(11-13)24(27)28/h3-7,10-11,14,21H,8-9,12H2,1-2H3,(H,22,25)