[1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[3-(m-tolylsulfanyl)pyrazin-2-yl]-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[3-[(3-methylphenyl)thio]-2-pyrazinyl]-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-[3-(m-tolylthio)pyrazin-2-yl]-4-piperidyl]-(4-phenylpiperazino)methanone Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5OS/c1-21-6-5-9-24(20-21)34-26-25(28-12-13-29-26)31-14-10-22(11-15-31)27(33)32-18-16-30(17-19-32)23-7-3-2-4-8-23/h2-9,12-13,20,22H,10-11,14-19H2,1H3