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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)Br)C

InChI

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