ethyl 3-[bis(pyridin-2-ylmethyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[bis(pyridin-2-ylmethyl)carbamothioylamino]benzoate Openeye Name: ethyl 3-[bis(2-pyridylmethyl)carbamothioylamino]benzoate CAS Name: 3-[[[bis(2-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[bis(pyridin-2-ylmethyl)carbamothioylamino]benzoate Traditional Name: 3-[bis(2-pyridylmethyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N(CC2=CC=CC=N2)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N(CC2=CC=CC=N2)CC3=CC=CC=N3

InChI

InChI=1S/C22H22N4O2S/c1-2-28-21(27)17-8-7-11-18(14-17)25-22(29)26(15-19-9-3-5-12-23-19)16-20-10-4-6-13-24-20/h3-14H,2,15-16H2,1H3,(H,25,29)