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

Systemtic Name: 3-chloranyl-N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-12(2)16-8-7-13(3)9-17(16)27-11-18(25)23-24-20(28)22-19(26)14-5-4-6-15(21)10-14/h4-10,12H,11H2,1-3H3,(H,23,25)(H2,22,24,26,28)