methyl 2-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromo-3-chloro-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-chlorophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-3-chloro-phenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H14BrClN2O2S2 MolecularWeight: 433.77086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)Br)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)Br)Cl)C

InChI

InChI=1S/C15H14BrClN2O2S2/c1-7-8(2)23-13(12(7)14(20)21-3)19-15(22)18-9-4-5-10(16)11(17)6-9/h4-6H,1-3H3,(H2,18,19,22)