3,3-dimethyl-2-(3-phenylpropanoylamino)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide

Systemtic Name: 3,3-dimethyl-2-(3-phenylpropanoylamino)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide Openeye Name: 3,3-dimethyl-2-(3-phenylpropanoylamino)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)butanamide CAS Name: 3,3-dimethyl-2-[(1-oxo-3-phenylpropyl)amino]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide IUPAC Name: 3,3-dimethyl-2-(3-phenylpropanoylamino)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide Traditional Name: 2-(hydrocinnamoylamino)-3,3-dimethyl-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)butyramide Formula: C17H22N4O2S2 MolecularWeight: 378.51218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC1=NNC(=S)S1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(C(=O)NC1=NNC(=S)S1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O2S2/c1-17(2,3)13(14(23)19-15-20-21-16(24)25-15)18-12(22)10-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3,(H,18,22)(H,21,24)(H,19,20,23)