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

Systemtic Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)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(=C1)CC2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H24N2O2S2/c1-2-28-23(27)21-15-20(14-17-8-4-3-5-9-17)30-22(21)25-24(29)26-13-12-18-10-6-7-11-19(18)16-26/h3-11,15H,2,12-14,16H2,1H3,(H,25,29)