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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S2/c1-17(2,10-14(23)19-15-20-21-16(24)25-15)11-18-13(22)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,18,22)(H,21,24)(H,19,20,23)