4-[[5-(2,6-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-propyl-benzamide

Systemtic Name: 4-[[5-(2,6-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-propyl-benzamide Openeye Name: 4-[[5-(2,6-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-propyl-benzamide CAS Name: 4-[[5-(2,6-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-propylbenzamide IUPAC Name: 4-[[5-(2,6-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-propylbenzamide Traditional Name: 4-[[5-(2,6-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-propyl-benzamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(S2)OC3=C(C=CC=C3C)C

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(S2)OC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H23N3O4S2/c1-4-12-22-19(25)17-10-8-16(9-11-17)13-30(26,27)21-24-23-20(29-21)28-18-14(2)6-5-7-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,22,25)