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

Systemtic Name: dimethyl 5-[(4-butan-2-ylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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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)OC)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S2/c1-6-11(2)13-7-9-14(10-8-13)21-20(27)22-17-15(18(23)25-4)12(3)16(28-17)19(24)26-5/h7-11H,6H2,1-5H3,(H2,21,22,27)