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

Systemtic Name: 4-tert-butyl-N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[(isobutyrylthiocarbamoylamino)carbamoyl]phenyl]benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)C(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H28N4O3S/c1-14(2)19(28)25-22(31)27-26-21(30)16-8-12-18(13-9-16)24-20(29)15-6-10-17(11-7-15)23(3,4)5/h6-14H,1-5H3,(H,24,29)(H,26,30)(H2,25,27,28,31)