dimethyl 3-methyl-5-[(4-methylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-methylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(p-tolylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-methylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methylbenzyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S2/c1-10-5-7-12(8-6-10)9-19-18(25)20-15-13(16(21)23-3)11(2)14(26-15)17(22)24-4/h5-8H,9H2,1-4H3,(H2,19,20,25)