ethyl 3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(4-pyridylmethyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-(pyridin-4-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(pyridin-4-ylmethyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(4-pyridylmethyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H24N4O2S/c1-2-26-19(25)17-4-3-5-18(14-17)22-20(27)24-12-10-23(11-13-24)15-16-6-8-21-9-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,22,27)