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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(phenylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H17BrN2O2S2 MolecularWeight: 461.39518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H17BrN2O2S2/c1-2-25-19(24)17-16(13-8-10-14(21)11-9-13)12-27-18(17)23-20(26)22-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H2,22,23,26)