methyl 5-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C17H13Br2N3O4S2 MolecularWeight: 547.24082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C(=O)OC

InChI

InChI=1S/C17H13Br2N3O4S2/c1-7-10(6-20)15(28-13(7)16(24)26-3)22-17(27)21-14(23)9-4-8(18)5-11(19)12(9)25-2/h4-5H,1-3H3,(H2,21,22,23,27)