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

Systemtic Name: methyl 2-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromo-3-methyl-phenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-3-methylanilino)-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-methylphenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-3-methyl-phenyl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3S2/c1-9-8-11(6-7-12(9)19)20-18(26)21-15-13(17(24)25-5)10(2)14(27-15)16(23)22(3)4/h6-8H,1-5H3,(H2,20,21,26)