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

Systemtic Name: ethyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(3,4-dihydro-2H-quinoline-1-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)N3CCCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCC4=CC=CC=C43

InChI

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