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

Systemtic Name: N-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-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)NC(=S)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)NC(=S)N3CCN(CC3)C4=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)29-26(24)30-27(33)32-17-15-31(16-18-32)21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-18H2,(H,29,30,33)