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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)CSC(=O)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)CSC(=O)C

InChI

InChI=1S/C20H21NO3S/c1-3-18(15-7-5-4-6-8-15)20(24)21-17-11-9-16(10-12-17)19(23)13-25-14(2)22/h4-12,18H,3,13H2,1-2H3,(H,21,24)