6,7-diethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-diethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-diethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-diethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-diethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-diethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=C(C=C3)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=C(C=C3)OC)OCC

InChI

InChI=1S/C21H26N2O3S/c1-4-25-19-12-15-10-11-23(14-16(15)13-20(19)26-5-2)21(27)22-17-6-8-18(24-3)9-7-17/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,27)