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

Systemtic Name: methyl 2-[(2-bromanyl-4-methyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromo-4-methyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-bromo-4-methylanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-4-methylphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-bromo-4-methyl-phenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H15BrN2O2S2 MolecularWeight: 399.3258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=C(C=C(S2)C)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=C(C=C(S2)C)C(=O)OC)Br

InChI

InChI=1S/C15H15BrN2O2S2/c1-8-4-5-12(11(16)6-8)17-15(21)18-13-10(14(19)20-3)7-9(2)22-13/h4-7H,1-3H3,(H2,17,18,21)