diethyl 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2,4-ditert-amylphenoxy)butylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C32H48N2O5S2 MolecularWeight: 604.86392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48N2O5S2/c1-10-31(6,7)22-16-17-24(23(20-22)32(8,9)11-2)39-19-15-14-18-33-30(40)34-27-25(28(35)37-12-3)21(5)26(41-27)29(36)38-13-4/h16-17,20H,10-15,18-19H2,1-9H3,(H2,33,34,40)