4-tert-butyl-N-[3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]phenyl]benzamide Formula: C26H26ClN3O2S MolecularWeight: 480.02154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H26ClN3O2S/c1-26(2,3)19-11-9-18(10-12-19)24(32)28-21-5-4-6-22(16-21)29-25(33)30-23(31)15-17-7-13-20(27)14-8-17/h4-14,16H,15H2,1-3H3,(H,28,32)(H2,29,30,31,33)