S-[7-oxidanylidene-7-[(3-phenylphenyl)amino]heptyl] 2-methylpropanethioate

Systemtic Name: S-[7-oxidanylidene-7-[(3-phenylphenyl)amino]heptyl] 2-methylpropanethioate Openeye Name: S-[7-oxo-7-(3-phenylanilino)heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[7-oxo-7-(3-phenylanilino)heptyl] ester IUPAC Name: S-[7-oxo-7-(3-phenylanilino)heptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[7-keto-7-(3-phenylanilino)heptyl] ester Formula: C23H29NO2S MolecularWeight: 383.54686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCCC(=O)NC1=CC=CC(=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)SCCCCCCC(=O)NC1=CC=CC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C23H29NO2S/c1-18(2)23(26)27-16-9-4-3-8-15-22(25)24-21-14-10-13-20(17-21)19-11-6-5-7-12-19/h5-7,10-14,17-18H,3-4,8-9,15-16H2,1-2H3,(H,24,25)