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

Systemtic Name: 4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carbothioamide CAS Name: 4-[4-cyano-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carbothioamide Traditional Name: N-benzyl-4-[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carbothioamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C26H27N5OS/c27-17-22-20-9-4-5-10-21(20)24(23-11-6-16-32-23)29-25(22)30-12-14-31(15-13-30)26(33)28-18-19-7-2-1-3-8-19/h1-3,6-8,11,16H,4-5,9-10,12-15,18H2,(H,28,33)