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

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

Isomeric SMILES

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

InChI

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