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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-phenyl-butanamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-phenyl-butanamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide Traditional Name: 4-phenyl-N-(5-veratryl-1,3,4-thiadiazol-2-yl)butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)CCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)CCCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-17-12-11-16(13-18(17)27-2)14-20-23-24-21(28-20)22-19(25)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3,(H,22,24,25)