ethyl 4-[[(1S)-2-(butylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: ethyl 4-[[(1S)-2-(butylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[(1S)-2-(butylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[(1S)-2-[butylamino(sulfanylidene)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1S)-2-(butylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[(1S)-2-(butylthiocarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(=O)OCC)OC)OC

Isomeric SMILES

CCCCNC(=S)N1CCC2=CC(=C(C=C2[C@H]1COC3=CC=C(C=C3)C(=O)OCC)OC)OC

InChI

InChI=1S/C26H34N2O5S/c1-5-7-13-27-26(34)28-14-12-19-15-23(30-3)24(31-4)16-21(19)22(28)17-33-20-10-8-18(9-11-20)25(29)32-6-2/h8-11,15-16,22H,5-7,12-14,17H2,1-4H3,(H,27,34)/t22-/m1/s1