[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-phenylsulfanylpyrazin-2-yl)piperidin-3-yl]methanone

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-phenylsulfanylpyrazin-2-yl)piperidin-3-yl]methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-phenylsulfanylpyrazin-2-yl)-3-piperidyl]methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinyl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-phenylsulfanylpyrazin-2-yl)piperidin-3-yl]methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-[1-[3-(phenylthio)pyrazin-2-yl]-3-piperidyl]methanone Formula: C26H28ClN5OS MolecularWeight: 494.05142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H28ClN5OS/c27-21-7-4-8-22(18-21)30-14-16-31(17-15-30)26(33)20-6-5-13-32(19-20)24-25(29-12-11-28-24)34-23-9-2-1-3-10-23/h1-4,7-12,18,20H,5-6,13-17,19H2