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

Systemtic Name: methyl 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C34H46N2O3S2 MolecularWeight: 594.87064

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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)OC)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)OC)C(C)(C)CC

InChI

InChI=1S/C34H46N2O3S2/c1-9-33(4,5)25-18-19-27(26(22-25)34(6,7)10-2)39-21-15-14-20-35-32(40)36-30-29(31(37)38-8)28(23(3)41-30)24-16-12-11-13-17-24/h11-13,16-19,22H,9-10,14-15,20-21H2,1-8H3,(H2,35,36,40)