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

Systemtic Name: 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide CAS Name: 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide Formula: C25H31N5S MolecularWeight: 433.61214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H31N5S/c1-18(2)23-21-11-7-6-10-20(21)22(16-26)24(28-23)29-12-14-30(15-13-29)25(31)27-17-19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-15,17H2,1-2H3,(H,27,31)