3-(2-dimethylaminoethylsulfanyl)-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(2-dimethylaminoethylsulfanyl)-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(2-dimethylaminoethylsulfanyl)-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(2-dimethylaminoethylthio)-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-dimethylaminoethylsulfanyl)-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(2-dimethylaminoethylthio)-1-piperidino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H28N4S MolecularWeight: 344.51742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC(=C2CCCCC2=C1C#N)N3CCCCC3

Isomeric SMILES

CN(C)CCSC1=NC(=C2CCCCC2=C1C#N)N3CCCCC3

InChI

InChI=1S/C19H28N4S/c1-22(2)12-13-24-19-17(14-20)15-8-4-5-9-16(15)18(21-19)23-10-6-3-7-11-23/h3-13H2,1-2H3