methyl 4-[bis(pyridin-2-ylmethyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[bis(pyridin-2-ylmethyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[bis(2-pyridylmethyl)carbamothioylamino]benzoate CAS Name: 4-[[[bis(2-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(pyridin-2-ylmethyl)carbamothioylamino]benzoate Traditional Name: 4-[bis(2-pyridylmethyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-27-20(26)16-8-10-17(11-9-16)24-21(28)25(14-18-6-2-4-12-22-18)15-19-7-3-5-13-23-19/h2-13H,14-15H2,1H3,(H,24,28)