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

Systemtic Name: 4-methylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: 4-methylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: 4-(methylthio)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: 4-methylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C20H28N4O3S3 MolecularWeight: 468.65632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C(CCSC)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S3/c1-3-4-6-11-18-22-23-20(29-18)21-19(25)17(12-14-28-2)24-30(26,27)15-13-16-9-7-5-8-10-16/h5,7-10,13,15,17,24H,3-4,6,11-12,14H2,1-2H3,(H,21,23,25)/b15-13+