[4-(4-methoxyphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone Openeye Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[3-nitro-4-(3-pyridylmethylsulfanyl)phenyl]methanone CAS Name: [4-(4-methoxyphenyl)-1-piperazinyl]-[3-nitro-4-(3-pyridinylmethylthio)phenyl]methanone IUPAC Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone Traditional Name: [4-(4-methoxyphenyl)piperazino]-[3-nitro-4-(3-pyridylmethylthio)phenyl]methanone Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O4S/c1-32-21-7-5-20(6-8-21)26-11-13-27(14-12-26)24(29)19-4-9-23(22(15-19)28(30)31)33-17-18-3-2-10-25-16-18/h2-10,15-16H,11-14,17H2,1H3