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

Systemtic Name: 4-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-(4-methyl-1-piperazinyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[4-(4-methylpiperazino)anilino]ethyl]thio]-3-nitro-benzamide Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S/c1-23-8-10-24(11-9-23)16-5-3-15(4-6-16)22-19(26)13-30-18-7-2-14(20(21)27)12-17(18)25(28)29/h2-7,12H,8-11,13H2,1H3,(H2,21,27)(H,22,26)