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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide Traditional Name: 2-propylsulfonyl-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O5S2/c1-4-11-31(26,27)18-8-6-5-7-15(18)20(25)22-21-24-23-19(30-21)13-14-9-10-16(28-2)17(12-14)29-3/h5-10,12H,4,11,13H2,1-3H3,(H,22,24,25)