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

Systemtic Name: 4-tert-butyl-N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[3-(2-chlorophenyl)propanoylthiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C28H29ClN4O3S MolecularWeight: 537.07286

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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)CCC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C28H29ClN4O3S/c1-28(2,3)21-13-8-19(9-14-21)25(35)30-22-15-10-20(11-16-22)26(36)32-33-27(37)31-24(34)17-12-18-6-4-5-7-23(18)29/h4-11,13-16H,12,17H2,1-3H3,(H,30,35)(H,32,36)(H2,31,33,34,37)