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

Systemtic Name: 4-tert-butyl-N-[4-[[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C27H27N5O6S MolecularWeight: 549.59818

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O6S/c1-27(2,3)19-8-4-17(5-9-19)24(34)28-20-10-6-18(7-11-20)25(35)30-31-26(39)29-23(33)16-38-22-14-12-21(13-15-22)32(36)37/h4-15H,16H2,1-3H3,(H,28,34)(H,30,35)(H2,29,31,33,39)