4-(3-chlorophenyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(3-chlorophenyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperazine-1-carboxamide Openeye Name: 4-(3-chlorophenyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperazine-1-carboxamide CAS Name: 4-(3-chlorophenyl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-chlorophenyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperazine-1-carboxamide Traditional Name: 4-(3-chlorophenyl)-N-[2-[(2-cyanobenzyl)thio]ethyl]piperazine-1-carboxamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23ClN4OS/c22-19-6-3-7-20(14-19)25-9-11-26(12-10-25)21(27)24-8-13-28-16-18-5-2-1-4-17(18)15-23/h1-7,14H,8-13,16H2,(H,24,27)