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

Systemtic Name: ethyl 4-[[furan-2-ylmethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[2-furylmethyl(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[2-furanylmethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[furan-2-ylmethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-furfuryl(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-2-26-20(25)17-7-9-18(10-8-17)23-21(28)24(15-19-6-4-12-27-19)14-16-5-3-11-22-13-16/h3-13H,2,14-15H2,1H3,(H,23,28)