N-[2-(4-chlorophenyl)ethyl]-6,7-dicyano-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dicyano-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dicyano-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dicyano-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dicyano-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dicyano-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H17ClN4S MolecularWeight: 380.89378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C(=C2)C#N)C#N)C(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC2=C1C=C(C(=C2)C#N)C#N)C(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN4S/c21-19-3-1-14(2-4-19)5-7-24-20(26)25-8-6-15-9-16(11-22)17(12-23)10-18(15)13-25/h1-4,9-10H,5-8,13H2,(H,24,26)