1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-allyl-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-allyl-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=S)NCC=C)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=S)NCC=C)OC)OC)OC

InChI

InChI=1S/C23H28N2O4S/c1-6-10-24-23(30)25-11-9-15-12-20(28-4)21(29-5)14-17(15)22(25)16-7-8-18(26-2)19(13-16)27-3/h6-8,12-14,22H,1,9-11H2,2-5H3,(H,24,30)