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5,8-bis(chloranyl)-6,7-bis(oxidanyl)-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

5,8-bis(chloranyl)-6,7-bis(oxidanyl)-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name:5,8-bis(chloranyl)-6,7-bis(oxidanyl)-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Openeye Name:5,8-dichloro-6,7-dihydroxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name:5,8-dichloro-6,7-dihydroxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC Name:5,8-dichloro-6,7-dihydroxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Traditional Name:5,8-dichloro-6,7-dihydroxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Formula: C18H18Cl2N2O2S
MolecularWeight: 397.31872
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(C(=C2Cl)O)O)Cl)C(=S)NCCC3=CC=CC=C3


Isomeric SMILES

C1CN(CC2=C1C(=C(C(=C2Cl)O)O)Cl)C(=S)NCCC3=CC=CC=C3


InChI

InChI=1S/C18H18Cl2N2O2S/c19-14-12-7-9-22(10-13(12)15(20)17(24)16(14)23)18(25)21-8-6-11-4-2-1-3-5-11/h1-5,23-24H,6-10H2,(H,21,25)


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