methyl 5-[(3-bromophenyl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[(3-bromophenyl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[(3-bromobenzoyl)carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[(3-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-bromobenzoyl)carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-bromobenzoyl)thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H12BrN3O3S2 MolecularWeight: 438.31878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=CC=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=CC=C2)Br)C(=O)OC

InChI

InChI=1S/C16H12BrN3O3S2/c1-8-11(7-18)14(25-12(8)15(22)23-2)20-16(24)19-13(21)9-4-3-5-10(17)6-9/h3-6H,1-2H3,(H2,19,20,21,24)