[2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [2-[(3-bromophenyl)methylsulfanyl]-3-pyridyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [2-[(3-bromophenyl)methylthio]-3-pyridinyl]-[4-(3-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [2-[(3-bromobenzyl)thio]-3-pyridyl]-[4-(3-methoxyphenyl)piperazino]methanone Formula: C24H24BrN3O2S MolecularWeight: 498.43526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H24BrN3O2S/c1-30-21-8-3-7-20(16-21)27-11-13-28(14-12-27)24(29)22-9-4-10-26-23(22)31-17-18-5-2-6-19(25)15-18/h2-10,15-16H,11-14,17H2,1H3