N-[1-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]piperidin-4-yl]cyclopropanecarboxamide

Systemtic Name: N-[1-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]piperidin-4-yl]cyclopropanecarboxamide Openeye Name: N-[1-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]-4-piperidyl]cyclopropanecarboxamide CAS Name: N-[1-[2-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-oxoethyl]-4-piperidinyl]cyclopropanecarboxamide IUPAC Name: N-[1-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide Traditional Name: N-[1-[2-[2-[(2-cyanobenzyl)thio]ethylamino]-2-keto-ethyl]-4-piperidyl]cyclopropanecarboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2CCN(CC2)CC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC1C(=O)NC2CCN(CC2)CC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H28N4O2S/c22-13-17-3-1-2-4-18(17)15-28-12-9-23-20(26)14-25-10-7-19(8-11-25)24-21(27)16-5-6-16/h1-4,16,19H,5-12,14-15H2,(H,23,26)(H,24,27)