N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C=CC(=C2)C)C(C)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C=CC(=C2)C)C(C)C

InChI

InChI=1S/C25H33N3O4S/c1-5-6-9-14-31-21-11-8-7-10-20(21)24(30)26-25(33)28-27-23(29)16-32-22-15-18(4)12-13-19(22)17(2)3/h7-8,10-13,15,17H,5-6,9,14,16H2,1-4H3,(H,27,29)(H2,26,28,30,33)