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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3C

InChI

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