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

Systemtic Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24N2O2S2 MolecularWeight: 436.58956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H24N2O2S2/c1-3-28-23(27)21-20(18-10-5-4-6-11-18)16(2)30-22(21)25-24(29)26-14-13-17-9-7-8-12-19(17)15-26/h4-12H,3,13-15H2,1-2H3,(H,25,29)