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

Systemtic Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide CAS Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide Formula: C28H29N5S MolecularWeight: 467.62836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5S/c29-19-25-23-13-7-8-14-24(23)26(22-11-5-2-6-12-22)31-27(25)32-15-17-33(18-16-32)28(34)30-20-21-9-3-1-4-10-21/h1-6,9-12H,7-8,13-18,20H2,(H,30,34)