S-[7-oxidanylidene-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate

Systemtic Name: S-[7-oxidanylidene-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate Openeye Name: S-[7-oxo-7-[(4-phenylthiazol-2-yl)amino]heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[7-oxo-7-[(4-phenyl-2-thiazolyl)amino]heptyl] ester IUPAC Name: S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[7-keto-7-[(4-phenylthiazol-2-yl)amino]heptyl] ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)SCCCCCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C20H26N2O2S2/c1-15(2)19(24)25-13-9-4-3-8-12-18(23)22-20-21-17(14-26-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,21,22,23)