N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(p-tolylsulfanyl)butanamide CAS Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(p-tolylthio)butyramide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C2=C(C=C(C=C2)OC)OC)SC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C2=C(C=C(C=C2)OC)OC)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O3S2/c1-5-18(28-15-9-6-13(2)7-10-15)19(25)22-21-24-23-20(29-21)16-11-8-14(26-3)12-17(16)27-4/h6-12,18H,5H2,1-4H3,(H,22,24,25)