6-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)ethylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-methyl-2-[2-[4-(phenylmethyl)-1-piperazinyl]ethylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)ethylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[2-(4-benzylpiperazino)ethylthio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H30N4S MolecularWeight: 406.5868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCCN3CCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCCN3CCN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H30N4S/c1-19-7-8-23-21(15-19)16-22(17-25)24(26-23)29-14-13-27-9-11-28(12-10-27)18-20-5-3-2-4-6-20/h2-6,16,19H,7-15,18H2,1H3