4-tert-butyl-N-[4-[[2-(4-chloranyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-[[2-(4-chloranyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[[2-(4-chloro-2-methyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[[2-(4-chloro-2-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C28H29ClN4O4S MolecularWeight: 553.07226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H29ClN4O4S/c1-17-15-21(29)11-14-23(17)37-16-24(34)31-27(38)33-32-26(36)19-7-12-22(13-8-19)30-25(35)18-5-9-20(10-6-18)28(2,3)4/h5-15H,16H2,1-4H3,(H,30,35)(H,32,36)(H2,31,33,34,38)