ethyl 4-(4-bromophenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(hydrocinnamoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H21BrN2O3S2 MolecularWeight: 517.45844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H21BrN2O3S2/c1-2-29-22(28)20-18(16-9-11-17(24)12-10-16)14-31-21(20)26-23(30)25-19(27)13-8-15-6-4-3-5-7-15/h3-7,9-12,14H,2,8,13H2,1H3,(H2,25,26,27,30)