N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-[2-(phenylmethyl)-1,3-thiazol-4-yl]ethanamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-[2-(phenylmethyl)-1,3-thiazol-4-yl]ethanamide Openeye Name: 2-(2-benzylthiazol-4-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]acetamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-[2-(phenylmethyl)-4-thiazolyl]acetamide IUPAC Name: 2-(2-benzyl-1,3-thiazol-4-yl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-(2-benzylthiazol-4-yl)-N-[6-(3-ketopiperazino)-3-pyridyl]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CC3=CSC(=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CC3=CSC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c27-19(11-17-14-29-21(25-17)10-15-4-2-1-3-5-15)24-16-6-7-18(23-12-16)26-9-8-22-20(28)13-26/h1-7,12,14H,8-11,13H2,(H,22,28)(H,24,27)