N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-phenylethanoylamino)propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-phenylethanoylamino)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-phenylacetyl)amino]propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-phenylacetyl)amino]propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-[(2-phenylacetyl)amino]propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C21H23N3O2S/c22-15-18-8-4-5-9-19(18)16-27-13-12-24-20(25)10-11-23-21(26)14-17-6-2-1-3-7-17/h1-9H,10-14,16H2,(H,23,26)(H,24,25)