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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(isobutyrylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H19BrN2O3S2 MolecularWeight: 455.38906

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O3S2/c1-4-24-17(23)14-13(11-5-7-12(19)8-6-11)9-26-16(14)21-18(25)20-15(22)10(2)3/h5-10H,4H2,1-3H3,(H2,20,21,22,25)