1-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(2,4-dichlorobenzoyl)piperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C19H17Cl2N3O4S MolecularWeight: 454.32698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2N3O4S/c20-13-1-6-16(17(21)11-13)19(26)23-9-7-22(8-10-23)18(25)12-29-15-4-2-14(3-5-15)24(27)28/h1-6,11H,7-10,12H2