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

Systemtic Name: N-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]phenyl]ethanamide Openeye Name: N-[4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]phenyl]acetamide CAS Name: N-[4-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]phenyl]acetamide Traditional Name: N-[4-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]phenyl]acetamide Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6OS/c1-13(24)20-14-3-5-15(6-4-14)21-17(25)23-11-9-22(10-12-23)16-18-7-2-8-19-16/h2-8H,9-12H2,1H3,(H,20,24)(H,21,25)