methyl 2-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]phenyl]acetate CAS Name: 2-[4-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]phenyl]acetate Traditional Name: 2-[4-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H21N5O2S/c1-25-16(24)13-14-3-5-15(6-4-14)21-18(26)23-11-9-22(10-12-23)17-19-7-2-8-20-17/h2-8H,9-13H2,1H3,(H,21,26)