N-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-4-phenyl-piperazine-1-carbothioamide Formula: C24H29N5S MolecularWeight: 419.58556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=N1)NC(=S)N3CCN(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=N1)NC(=S)N3CCN(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H29N5S/c1-17(2)22-20-11-7-6-10-19(20)21(16-25)23(26-22)27-24(30)29-14-12-28(13-15-29)18-8-4-3-5-9-18/h3-5,8-9,17H,6-7,10-15H2,1-2H3,(H,26,27,30)