methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(p-tolylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methylbenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c1-11-6-8-13(9-7-11)10-20-19(26)21-16-14(18(24)25-5)12(2)15(27-16)17(23)22(3)4/h6-9H,10H2,1-5H3,(H2,20,21,26)