N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(o-tolyl)piperazine-1-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-(2-methylphenyl)-1-piperazinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-(o-tolyl)piperazine-1-carboxamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H26N4OS/c1-18-6-2-5-9-21(18)25-11-13-26(14-12-25)22(27)24-10-15-28-17-20-8-4-3-7-19(20)16-23/h2-9H,10-15,17H2,1H3,(H,24,27)