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

Systemtic Name: 4-tert-butyl-N-[4-[[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C31H36N4O4S MolecularWeight: 560.70694

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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)C(C)(C)C

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)C(C)(C)C

InChI

InChI=1S/C31H36N4O4S/c1-30(2,3)22-11-7-20(8-12-22)27(37)32-24-15-9-21(10-16-24)28(38)34-35-29(40)33-26(36)19-39-25-17-13-23(14-18-25)31(4,5)6/h7-18H,19H2,1-6H3,(H,32,37)(H,34,38)(H2,33,35,36,40)