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

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)benzoate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoic acid methyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H18N2O2S/c1-22-17(21)15-8-4-5-9-16(15)19-18(23)20-11-10-13-6-2-3-7-14(13)12-20/h2-9H,10-12H2,1H3,(H,19,23)