ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)benzoate

Systemtic Name: ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)benzoate Openeye Name: ethyl 3-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate CAS Name: 3-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoic acid ethyl ester Formula: C19H20N2O2S MolecularWeight: 340.4393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H20N2O2S/c1-2-23-18(22)15-8-5-9-17(12-15)20-19(24)21-11-10-14-6-3-4-7-16(14)13-21/h3-9,12H,2,10-11,13H2,1H3,(H,20,24)