4-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(4-propoxyphenyl)butanamide

Systemtic Name: 4-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(4-propoxyphenyl)butanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-propoxyphenyl)butanamide CAS Name: 4-oxo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-(4-propoxyphenyl)butanamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-propoxyphenyl)butanamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-keto-4-(4-propoxyphenyl)butyramide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S2/c1-2-14-28-18-10-8-17(9-11-18)19(26)12-13-20(27)23-21-24-25-22(30-21)29-15-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,23,24,27)