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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[(3-ethanoylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-acetylphenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-acetylphenyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3-acetylphenyl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c1-10-14(18(25)26-5)16(28-15(10)17(24)22(3)4)21-19(27)20-13-8-6-7-12(9-13)11(2)23/h6-9H,1-5H3,(H2,20,21,27)