methyl 4-[[furan-2-ylmethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[furan-2-ylmethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[2-furylmethyl(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[2-furanylmethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[furan-2-ylmethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-furfuryl(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C20H19N3O3S/c1-25-19(24)16-6-8-17(9-7-16)22-20(27)23(14-18-5-3-11-26-18)13-15-4-2-10-21-12-15/h2-12H,13-14H2,1H3,(H,22,27)