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

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[4-(1,1-dimethylpropyl)phenoxy]butanamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide Traditional Name: 4-(4-tert-amylphenoxy)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]butyramide Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)CC

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)CC

InChI

InChI=1S/C21H31N3O2S2/c1-5-7-15-27-20-24-23-19(28-20)22-18(25)9-8-14-26-17-12-10-16(11-13-17)21(3,4)6-2/h10-13H,5-9,14-15H2,1-4H3,(H,22,23,25)