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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CN(CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C18H20N4O4S/c1-21(11-17(23)20-14-5-3-4-6-16(14)27-2)10-13-8-7-12(18(19)24)9-15(13)22(25)26/h3-9H,10-11H2,1-2H3,(H2,19,24)(H,20,23)