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

Systemtic Name: 4-tert-butyl-N-[4-[[2-(4-chlorophenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C27H27ClN4O3S MolecularWeight: 523.04628

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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)CC3=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)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H27ClN4O3S/c1-27(2,3)20-10-6-18(7-11-20)24(34)29-22-14-8-19(9-15-22)25(35)31-32-26(36)30-23(33)16-17-4-12-21(28)13-5-17/h4-15H,16H2,1-3H3,(H,29,34)(H,31,35)(H2,30,32,33,36)