2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 2-(2,4-ditert-amylphenoxy)-N-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]butyramide Formula: C28H45N3O2S2 MolecularWeight: 519.8058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(S1)NC(=O)C(CC)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCCCCCSC1=NN=C(S1)NC(=O)C(CC)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C28H45N3O2S2/c1-9-13-14-15-18-34-26-31-30-25(35-26)29-24(32)22(10-2)33-23-17-16-20(27(5,6)11-3)19-21(23)28(7,8)12-4/h16-17,19,22H,9-15,18H2,1-8H3,(H,29,30,32)