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

Systemtic Name: methyl 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-ditert-amylphenoxy)butylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C33H44N2O3S2 MolecularWeight: 580.84406

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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)C3=CC=CC=C3)C(=O)OC)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C(C)(C)CC

InChI

InChI=1S/C33H44N2O3S2/c1-8-32(3,4)24-17-18-27(26(21-24)33(5,6)9-2)38-20-14-13-19-34-31(39)35-29-25(30(36)37-7)22-28(40-29)23-15-11-10-12-16-23/h10-12,15-18,21-22H,8-9,13-14,19-20H2,1-7H3,(H2,34,35,39)