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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-6-(methylsulfonylamino)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-6-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-6-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-6-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H22ClN3O2S2 MolecularWeight: 423.97988

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(CN(CC2)C(=S)NCCC3=CC=C(C=C3)Cl)C=C1

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(CN(CC2)C(=S)NCCC3=CC=C(C=C3)Cl)C=C1

InChI

InChI=1S/C19H22ClN3O2S2/c1-27(24,25)22-18-7-4-16-13-23(11-9-15(16)12-18)19(26)21-10-8-14-2-5-17(20)6-3-14/h2-7,12,22H,8-11,13H2,1H3,(H,21,26)