N-(4-chlorophenyl)-2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]acetamide CAS Name: N-(4-chlorophenyl)-2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]acetamide Formula: C22H18ClN3OS2 MolecularWeight: 439.98082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C22H18ClN3OS2/c23-14-7-9-15(10-8-14)25-20(27)13-29-22-18(12-24)16-4-1-2-5-17(16)21(26-22)19-6-3-11-28-19/h3,6-11H,1-2,4-5,13H2,(H,25,27)