N-[[(1R)-2-(ethylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methyl-benzamide

Systemtic Name: N-[[(1R)-2-(ethylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methyl-benzamide Openeye Name: N-[[(1R)-2-(ethylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methyl-benzamide CAS Name: N-[[(1R)-2-[ethylamino(sulfanylidene)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylbenzamide IUPAC Name: N-[[(1R)-2-(ethylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylbenzamide Traditional Name: N-[[(1R)-2-(ethylthiocarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methyl-benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCC2=CC(=C(C=C2C1CNC(=O)C3=CC=CC=C3C)OC)OC

Isomeric SMILES

CCNC(=S)N1CCC2=CC(=C(C=C2[C@@H]1CNC(=O)C3=CC=CC=C3C)OC)OC

InChI

InChI=1S/C23H29N3O3S/c1-5-24-23(30)26-11-10-16-12-20(28-3)21(29-4)13-18(16)19(26)14-25-22(27)17-9-7-6-8-15(17)2/h6-9,12-13,19H,5,10-11,14H2,1-4H3,(H,24,30)(H,25,27)/t19-/m0/s1