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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-phenoxy-butanamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-phenoxy-butanamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide Traditional Name: 4-phenoxy-N-(5-veratryl-1,3,4-thiadiazol-2-yl)butyramide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)CCCOC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)CCCOC3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N3O4S/c1-26-17-11-10-15(13-18(17)27-2)14-20-23-24-21(29-20)22-19(25)9-6-12-28-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,22,24,25)