ethyl 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[(3,3-dimethyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H23BrN2O3S2 MolecularWeight: 483.44222

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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)CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S2/c1-5-26-18(25)16-14(12-6-8-13(21)9-7-12)11-28-17(16)23-19(27)22-15(24)10-20(2,3)4/h6-9,11H,5,10H2,1-4H3,(H2,22,23,24,27)