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

Systemtic Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide Openeye Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide CAS Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide IUPAC Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide Traditional Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)CCCC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S2/c1-2-15-29(26,27)18-13-7-6-12-17(18)20(25)22-21-24-23-19(28-21)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,2,8,11,14-15H2,1H3,(H,22,24,25)