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

Systemtic Name: N-[(4-chlorophenyl)methyl]-5,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-5,6-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-5,6-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-5,6-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(4-chlorobenzyl)-5,6-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(C=C2)O)O)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC2=C1C(=C(C=C2)O)O)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN2O2S/c18-13-4-1-11(2-5-13)9-19-17(23)20-8-7-14-12(10-20)3-6-15(21)16(14)22/h1-6,21-22H,7-10H2,(H,19,23)