diethyl 5-[(4-butan-2-ylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(4-butan-2-ylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-sec-butylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-butan-2-ylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-sec-butylphenyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S2/c1-6-13(4)15-9-11-16(12-10-15)23-22(29)24-19-17(20(25)27-7-2)14(5)18(30-19)21(26)28-8-3/h9-13H,6-8H2,1-5H3,(H2,23,24,29)