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

Systemtic Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2S2/c1-2-27-22(26)19-14-20(17-9-4-3-5-10-17)29-21(19)24-23(28)25-13-12-16-8-6-7-11-18(16)15-25/h3-11,14H,2,12-13,15H2,1H3,(H,24,28)