ethyl 2-[(4-bromophenyl)carbonylcarbamothioylamino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromophenyl)carbonylcarbamothioylamino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromobenzoyl)carbamothioylamino]-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-[(2-methylanilino)-oxomethyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromobenzoyl)carbamothioylamino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-[(4-bromobenzoyl)thiocarbamoylamino]-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H22BrN3O4S2 MolecularWeight: 560.48318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=S)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=S)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H22BrN3O4S2/c1-4-32-23(31)18-14(3)19(21(30)26-17-8-6-5-7-13(17)2)34-22(18)28-24(33)27-20(29)15-9-11-16(25)12-10-15/h5-12H,4H2,1-3H3,(H,26,30)(H2,27,28,29,33)