dimethyl 3-methyl-5-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[1-(4-propylphenyl)ethylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[1-(4-propylphenyl)ethylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C21H26N2O4S2/c1-6-7-14-8-10-15(11-9-14)13(3)22-21(28)23-18-16(19(24)26-4)12(2)17(29-18)20(25)27-5/h8-11,13H,6-7H2,1-5H3,(H2,22,23,28)