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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-4-(4-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H17BrN2O3S2 MolecularWeight: 489.40528

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O3S2/c1-2-27-20(26)17-16(13-8-10-15(22)11-9-13)12-29-19(17)24-21(28)23-18(25)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,23,24,25,28)