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

Systemtic Name: dimethyl 5-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[1-(4-sec-butylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(4-butan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[1-(4-sec-butylphenyl)ethylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S2/c1-7-12(2)15-8-10-16(11-9-15)14(4)23-22(29)24-19-17(20(25)27-5)13(3)18(30-19)21(26)28-6/h8-12,14H,7H2,1-6H3,(H2,23,24,29)