1-[1,3-bis(oxidanyl)propan-2-yl]-6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 1-[1,3-bis(oxidanyl)propan-2-yl]-6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-diethoxy-1-[2-hydroxy-1-(hydroxymethyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-(1,3-dihydroxypropan-2-yl)-6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-(1,3-dihydroxypropan-2-yl)-6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-diethoxy-1-(2-hydroxy-1-methylol-ethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=S)N)C(CO)CO)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=S)N)C(CO)CO)OCC

InChI

InChI=1S/C17H26N2O4S/c1-3-22-14-7-11-5-6-19(17(18)24)16(12(9-20)10-21)13(11)8-15(14)23-4-2/h7-8,12,16,20-21H,3-6,9-10H2,1-2H3,(H2,18,24)