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

Systemtic Name: dimethyl 5-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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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)OC)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S2/c1-7-13(3)15-9-11-16(12-10-15)17(8-2)24-23(30)25-20-18(21(26)28-5)14(4)19(31-20)22(27)29-6/h9-13,17H,7-8H2,1-6H3,(H2,24,25,30)