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

Systemtic Name: 1-tert-butyl-3-[[(1R)-2-(ethylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]urea Openeye Name: 1-tert-butyl-3-[[(1R)-2-(ethylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]urea CAS Name: 1-tert-butyl-3-[[(1R)-2-[ethylamino(sulfanylidene)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]urea IUPAC Name: 1-tert-butyl-3-[[(1R)-2-(ethylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]urea Traditional Name: 1-tert-butyl-3-[[(1R)-2-(ethylthiocarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]urea Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCC2=CC(=C(C=C2C1CNC(=O)NC(C)(C)C)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O3S/c1-7-21-19(28)24-9-8-13-10-16(26-5)17(27-6)11-14(13)15(24)12-22-18(25)23-20(2,3)4/h10-11,15H,7-9,12H2,1-6H3,(H,21,28)(H2,22,23,25)/t15-/m0/s1