4-tert-butyl-N-[4-[[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-[[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C27H27ClN4O4S MolecularWeight: 539.04568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H27ClN4O4S/c1-27(2,3)19-8-4-17(5-9-19)24(34)29-21-12-6-18(7-13-21)25(35)31-32-26(37)30-23(33)16-36-22-14-10-20(28)11-15-22/h4-15H,16H2,1-3H3,(H,29,34)(H,31,35)(H2,30,32,33,37)