ethyl 4-(4-bromophenyl)-2-(thiophen-2-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(thiophen-2-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(2-thenoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H15BrN2O3S3 MolecularWeight: 495.433

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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=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H15BrN2O3S3/c1-2-25-18(24)15-13(11-5-7-12(20)8-6-11)10-28-17(15)22-19(26)21-16(23)14-4-3-9-27-14/h3-10H,2H2,1H3,(H2,21,22,23,26)