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

Systemtic Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]methanone Openeye Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[3-nitro-4-(4-pyridylmethylsulfanyl)phenyl]methanone CAS Name: [4-(4-methoxyphenyl)-1-piperazinyl]-[3-nitro-4-(pyridin-4-ylmethylthio)phenyl]methanone IUPAC Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]methanone Traditional Name: [4-(4-methoxyphenyl)piperazino]-[3-nitro-4-(4-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=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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