1-(1,3-benzoxazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[2-[(2-cyanobenzyl)thio]ethyl]isonipecotamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2C#N)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2C#N)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H24N4O2S/c24-15-18-5-1-2-6-19(18)16-30-14-11-25-22(28)17-9-12-27(13-10-17)23-26-20-7-3-4-8-21(20)29-23/h1-8,17H,9-14,16H2,(H,25,28)