S-[2-oxidanylidene-2-[4-(4-phenylbutanoylamino)phenyl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[4-(4-phenylbutanoylamino)phenyl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[4-(4-phenylbutanoylamino)phenyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[4-[(1-oxo-4-phenylbutyl)amino]phenyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[4-(4-phenylbutanoylamino)phenyl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-(4-phenylbutanoylamino)phenyl]ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C20H21NO3S/c1-15(22)25-14-19(23)17-10-12-18(13-11-17)21-20(24)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,21,24)