N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-methylpropanoylamino)benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-methylpropanoylamino)benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-methylpropanoylamino)benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-[(2-methyl-1-oxopropyl)amino]benzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-methylpropanoylamino)benzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-(isobutyrylamino)benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C21H23N3O2S/c1-15(2)20(25)24-19-9-7-16(8-10-19)21(26)23-11-12-27-14-18-6-4-3-5-17(18)13-22/h3-10,15H,11-12,14H2,1-2H3,(H,23,26)(H,24,25)