methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCC3=CC=CC=C3C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCC3=CC=CC=C3C2)C(=O)OC

InChI

InChI=1S/C18H20N2O2S2/c1-3-14-10-15(17(21)22-2)16(24-14)19-18(23)20-9-8-12-6-4-5-7-13(12)11-20/h4-7,10H,3,8-9,11H2,1-2H3,(H,19,23)