4-[2-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-methyl-4-(4-methyl-1-piperazinyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[2-methyl-4-(4-methylpiperazino)anilino]ethyl]thio]-3-nitro-benzamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c1-14-11-16(25-9-7-24(2)8-10-25)4-5-17(14)23-20(27)13-31-19-6-3-15(21(22)28)12-18(19)26(29)30/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,28)(H,23,27)