2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-methylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(p-tolylsulfonylamino)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C19H28N4O3S3 MolecularWeight: 456.64562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H28N4O3S3/c1-4-5-6-7-17-21-22-19(28-17)20-18(24)16(12-13-27-3)23-29(25,26)15-10-8-14(2)9-11-15/h8-11,16,23H,4-7,12-13H2,1-3H3,(H,20,22,24)