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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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