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

Systemtic Name: 4-tert-butyl-N-[3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]phenyl]benzamide Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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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)CCC3=CC=CC=C3Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN3O2S/c1-27(2,3)20-14-11-19(12-15-20)25(33)29-21-8-6-9-22(17-21)30-26(34)31-24(32)16-13-18-7-4-5-10-23(18)28/h4-12,14-15,17H,13,16H2,1-3H3,(H,29,33)(H2,30,31,32,34)