N-[5-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide

Systemtic Name: N-[5-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: N-[5-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: N-[5-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O2S2/c1-14-8-10-17(15(2)12-14)18(25)13-27-21-24-23-20(28-21)22-19(26)11-9-16-6-4-3-5-7-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,22,23,26)