1-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(3-chlorobenzoyl)piperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c20-15-3-1-2-14(12-15)19(25)22-10-8-21(9-11-22)18(24)13-28-17-6-4-16(5-7-17)23(26)27/h1-7,12H,8-11,13H2