(4-chlorophenyl)-[4-(4-nitro-3-quinolin-8-ylsulfanyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-chlorophenyl)-[4-(4-nitro-3-quinolin-8-ylsulfanyl-phenyl)piperazin-1-yl]methanone Openeye Name: (4-chlorophenyl)-[4-[4-nitro-3-(8-quinolylsulfanyl)phenyl]piperazin-1-yl]methanone CAS Name: (4-chlorophenyl)-[4-[4-nitro-3-(8-quinolinylthio)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-chlorophenyl)-[4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)piperazin-1-yl]methanone Traditional Name: (4-chlorophenyl)-[4-[4-nitro-3-(8-quinolylthio)phenyl]piperazino]methanone Formula: C26H21ClN4O3S MolecularWeight: 504.98794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21ClN4O3S/c27-20-8-6-19(7-9-20)26(32)30-15-13-29(14-16-30)21-10-11-22(31(33)34)24(17-21)35-23-5-1-3-18-4-2-12-28-25(18)23/h1-12,17H,13-16H2