N-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-3-propoxy-benzamide

Systemtic Name: N-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-3-propoxy-benzamide Openeye Name: 3-propoxy-N-[5-(p-tolylmethylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-3-propoxybenzamide IUPAC Name: N-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-3-propoxybenzamide Traditional Name: N-[5-(4-methylbenzyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-propoxy-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=C(C=C3)C

InChI

InChI=1S/C20H21N3O4S2/c1-3-11-27-17-6-4-5-16(12-17)18(24)21-19-22-23-20(28-19)29(25,26)13-15-9-7-14(2)8-10-15/h4-10,12H,3,11,13H2,1-2H3,(H,21,22,24)