N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-sulfanylidene-ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-sulfanylidene-ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-thioxo-acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-nitrophenyl)-1-piperazinyl]-2-sulfanylideneacetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-sulfanylideneacetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-[4-(4-nitrophenyl)piperazino]-2-thioxo-acetamide Formula: C25H21ClN4O4S MolecularWeight: 508.97664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN4O4S/c26-18-6-11-22(21(16-18)23(31)17-4-2-1-3-5-17)27-24(32)25(35)29-14-12-28(13-15-29)19-7-9-20(10-8-19)30(33)34/h1-11,16H,12-15H2,(H,27,32)