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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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