(Z)-2-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenyl-prop-2-enamide

Systemtic Name: (Z)-2-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenyl-prop-2-enamide Openeye Name: (Z)-2-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenyl-prop-2-enamide CAS Name: (Z)-2-acetamido-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-phenyl-2-propenamide IUPAC Name: (Z)-2-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenylprop-2-enamide Traditional Name: (Z)-2-acetamido-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-phenyl-acrylamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C21H21N3O2S/c1-16(25)24-20(13-17-7-3-2-4-8-17)21(26)23-11-12-27-15-19-10-6-5-9-18(19)14-22/h2-10,13H,11-12,15H2,1H3,(H,23,26)(H,24,25)/b20-13-