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

Systemtic Name: diethyl 5-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[1-(4-sec-butylphenyl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(4-butan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[1-(4-sec-butylphenyl)propylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H34N2O4S2 MolecularWeight: 490.67846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4S2/c1-7-15(5)17-11-13-18(14-12-17)19(8-2)26-25(32)27-22-20(23(28)30-9-3)16(6)21(33-22)24(29)31-10-4/h11-15,19H,7-10H2,1-6H3,(H2,26,27,32)