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

Systemtic Name: 4-tert-butyl-N-[3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[2-(o-tolyl)acetyl]carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[2-(o-tolyl)acetyl]thiocarbamoylamino]phenyl]benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H29N3O2S/c1-18-8-5-6-9-20(18)16-24(31)30-26(33)29-23-11-7-10-22(17-23)28-25(32)19-12-14-21(15-13-19)27(2,3)4/h5-15,17H,16H2,1-4H3,(H,28,32)(H2,29,30,31,33)