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

Systemtic Name: ethyl 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-ditert-amylphenoxy)butylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C35H48N2O3S2 MolecularWeight: 608.89722

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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)C3=CC=CC=C3)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)C3=CC=CC=C3)C(=O)OCC)C(C)(C)CC

InChI

InChI=1S/C35H48N2O3S2/c1-9-34(5,6)26-19-20-28(27(23-26)35(7,8)10-2)40-22-16-15-21-36-33(41)37-31-30(32(38)39-11-3)29(24(4)42-31)25-17-13-12-14-18-25/h12-14,17-20,23H,9-11,15-16,21-22H2,1-8H3,(H2,36,37,41)