N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-4-oxidanylidene-butyl]benzamide

Systemtic Name: N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-4-oxidanylidene-butyl]benzamide Openeye Name: N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-4-oxo-butyl]benzamide CAS Name: N-[4-[2-[(2-cyanophenyl)methylthio]ethylamino]-4-oxobutyl]benzamide IUPAC Name: N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-4-oxobutyl]benzamide Traditional Name: N-[4-[2-[(2-cyanobenzyl)thio]ethylamino]-4-keto-butyl]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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