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

Systemtic Name: methyl 2-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromo-2-chloro-phenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-chlorophenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H17BrClN3O3S2 MolecularWeight: 490.82218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClN3O3S2/c1-8-12(16(24)25-4)14(27-13(8)15(23)22(2)3)21-17(26)20-11-6-5-9(18)7-10(11)19/h5-7H,1-4H3,(H2,20,21,26)