ethyl 2-[(3-bromophenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-bromophenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromophenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(3-bromophenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H17BrN2O2S2 MolecularWeight: 413.35238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H17BrN2O2S2/c1-4-21-15(20)13-9(2)10(3)23-14(13)19-16(22)18-12-7-5-6-11(17)8-12/h5-8H,4H2,1-3H3,(H2,18,19,22)