N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfanyl-benzamide

Systemtic Name: N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfanyl-benzamide Openeye Name: 2-propylsulfanyl-N-[5-[2-(p-tolylsulfonylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-2-(propylthio)benzamide IUPAC Name: N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfanylbenzamide Traditional Name: 2-(propylthio)-N-[5-[2-(tosylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H24N4O3S3 MolecularWeight: 476.63526

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C(=O)NC2=NN=C(S2)CCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCSC1=CC=CC=C1C(=O)NC2=NN=C(S2)CCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N4O3S3/c1-3-14-29-18-7-5-4-6-17(18)20(26)23-21-25-24-19(30-21)12-13-22-31(27,28)16-10-8-15(2)9-11-16/h4-11,22H,3,12-14H2,1-2H3,(H,23,25,26)