3,3-dimethyl-4-[3-phenylpropanoyl-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N)CN(C1=NNC(=S)S1)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(CC(=O)N)CN(C1=NNC(=S)S1)C(=O)CCC2=CC=CC=C2

InChI

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