4-[2-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[4-(2,4-dichlorobenzoyl)piperazino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H18Cl2N4O5S MolecularWeight: 497.35172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2N4O5S/c21-13-2-3-14(15(22)10-13)20(29)25-7-5-24(6-8-25)18(27)11-32-17-4-1-12(19(23)28)9-16(17)26(30)31/h1-4,9-10H,5-8,11H2,(H2,23,28)