N-[2-(4-chlorophenyl)ethyl]-5,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-5,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-5,6-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=C1C(=C(C=C2)O)O)C(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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