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

Systemtic Name: methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)benzoate Openeye Name: methyl 4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate CAS Name: 4-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate Traditional Name: 4-(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=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

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

InChI

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