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

Systemtic Name: methyl 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]phenyl]acetate Traditional Name: 2-[4-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c1-25-18(24)14-15-5-7-16(8-6-15)21-19(26)23-12-10-22(11-13-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3,(H,21,26)