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

Systemtic Name: methyl 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-ditert-amylphenoxy)butylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C29H44N2O3S2 MolecularWeight: 532.80126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCCCOC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCCCOC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC)C(=O)OC

InChI

InChI=1S/C29H44N2O3S2/c1-9-21-19-22(26(32)33-8)25(36-21)31-27(35)30-16-12-13-17-34-24-15-14-20(28(4,5)10-2)18-23(24)29(6,7)11-3/h14-15,18-19H,9-13,16-17H2,1-8H3,(H2,30,31,35)