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

Systemtic Name: S-[7-oxidanylidene-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-phenylpropanethioate Openeye Name: S-[7-oxo-7-[(4-phenylthiazol-2-yl)amino]heptyl] 2-phenylpropanethioate CAS Name: 2-phenylpropanethioic 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-phenylpropanethioate Traditional Name: 2-phenylpropanethioic acid S-[7-keto-7-[(4-phenylthiazol-2-yl)amino]heptyl] ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)SCCCCCCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)SCCCCCCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O2S2/c1-19(20-12-6-4-7-13-20)24(29)30-17-11-3-2-10-16-23(28)27-25-26-22(18-31-25)21-14-8-5-9-15-21/h4-9,12-15,18-19H,2-3,10-11,16-17H2,1H3,(H,26,27,28)