2-[[(5-methylfuran-2-yl)methyl-(phenylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[(5-methylfuran-2-yl)methyl-(phenylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[benzyl-[(5-methyl-2-furyl)methyl]carbamothioyl]amino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[[(5-methyl-2-furanyl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[[benzyl-[(5-methylfuran-2-yl)methyl]carbamothioyl]amino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[benzyl-[(5-methyl-2-furyl)methyl]thiocarbamoyl]amino]-N-(3-pyridylmethyl)acetamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CC2=CC=CC=C2)C(=S)NCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(O1)CN(CC2=CC=CC=C2)C(=S)NCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-17-9-10-20(28-17)16-26(15-18-6-3-2-4-7-18)22(29)25-14-21(27)24-13-19-8-5-11-23-12-19/h2-12H,13-16H2,1H3,(H,24,27)(H,25,29)