methyl 4-[(4-pyrazin-2-ylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 4-[(4-pyrazin-2-ylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 4-[(4-pyrazin-2-ylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 4-[[[4-(2-pyrazinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-pyrazin-2-ylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-pyrazin-2-ylpiperazine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S/c1-24-16(23)13-2-4-14(5-3-13)20-17(25)22-10-8-21(9-11-22)15-12-18-6-7-19-15/h2-7,12H,8-11H2,1H3,(H,20,25)