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

Systemtic Name: 2-[[(2-chlorophenyl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[(2-chlorophenyl)methyl-(2-furylmethyl)carbamothioyl]amino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[[(2-chlorophenyl)methyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[[(2-chlorophenyl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[(2-chlorobenzyl)-(2-furfuryl)thiocarbamoyl]amino]-N-(3-pyridylmethyl)acetamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN(CC2=CC=CO2)C(=S)NCC(=O)NCC3=CN=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN(CC2=CC=CO2)C(=S)NCC(=O)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c22-19-8-2-1-6-17(19)14-26(15-18-7-4-10-28-18)21(29)25-13-20(27)24-12-16-5-3-9-23-11-16/h1-11H,12-15H2,(H,24,27)(H,25,29)