N-[2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-propyl-pentanamide

Systemtic Name: N-[2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-propyl-pentanamide Openeye Name: N-[2-[2-(methylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]-2-propyl-pentanamide CAS Name: N-[2-[[2-(methylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]-2-propylpentanamide IUPAC Name: N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-propylpentanamide Traditional Name: N-[2-[[2-keto-2-(methylamino)ethyl]thio]-4-phenyl-thiazol-5-yl]-2-propyl-valeramide Formula: C20H27N3O2S2 MolecularWeight: 405.57728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=C(N=C(S1)SCC(=O)NC)C2=CC=CC=C2

Isomeric SMILES

CCCC(CCC)C(=O)NC1=C(N=C(S1)SCC(=O)NC)C2=CC=CC=C2

InChI

InChI=1S/C20H27N3O2S2/c1-4-9-15(10-5-2)18(25)23-19-17(14-11-7-6-8-12-14)22-20(27-19)26-13-16(24)21-3/h6-8,11-12,15H,4-5,9-10,13H2,1-3H3,(H,21,24)(H,23,25)