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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC(=C(C=C21)O)O)C(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC2=CC(=C(C=C21)O)O)C(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN2O2S/c19-15-3-1-12(2-4-15)5-7-20-18(24)21-8-6-13-9-16(22)17(23)10-14(13)11-21/h1-4,9-10,22-23H,5-8,11H2,(H,20,24)