N-(furan-2-ylmethyl)-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide Openeye Name: 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]-N-(2-furylmethyl)acetamide CAS Name: N-(2-furanylmethyl)-2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]-N-(2-furfuryl)acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H22N4O2S/c26-20(23-13-19-9-5-11-27-19)14-24-21(28)25(15-17-6-2-1-3-7-17)16-18-8-4-10-22-12-18/h1-12H,13-16H2,(H,23,26)(H,24,28)