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

Systemtic Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)thiophene-2-carboxylate Openeye Name: methyl 3-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)thiophene-2-carboxylate CAS Name: 3-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)thiophene-2-carboxylate Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)thiophene-2-carboxylic acid methyl ester Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H16N2O2S2/c1-20-15(19)14-13(7-9-22-14)17-16(21)18-8-6-11-4-2-3-5-12(11)10-18/h2-5,7,9H,6,8,10H2,1H3,(H,17,21)