4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C27H27N5S MolecularWeight: 453.60178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5S/c28-19-24-22-13-7-8-14-23(22)25(20-9-3-1-4-10-20)30-26(24)31-15-17-32(18-16-31)27(33)29-21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-18H2,(H,29,33)