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

Systemtic Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(2-furfuryl)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=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=S)NCC4=CC=CO4)C5=CC=CC=C5

InChI

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