N-[4-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]phenyl]acetamide CAS Name: N-[4-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]phenyl]acetamide Traditional Name: N-[4-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]phenyl]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C18H21N5OS/c1-14(24)20-15-5-7-16(8-6-15)21-18(25)23-12-10-22(11-13-23)17-4-2-3-9-19-17/h2-9H,10-13H2,1H3,(H,20,24)(H,21,25)