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

Systemtic Name: methyl 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-ditert-amylphenoxy)butylthiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C30H46N2O3S2 MolecularWeight: 546.82784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCCCOC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCCCOC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC)C

InChI

InChI=1S/C30H46N2O3S2/c1-10-22-20(4)37-26(25(22)27(33)34-9)32-28(36)31-17-13-14-18-35-24-16-15-21(29(5,6)11-2)19-23(24)30(7,8)12-3/h15-16,19H,10-14,17-18H2,1-9H3,(H2,31,32,36)