2-chloranyl-N-cyclohexyl-5-(2,2-diphenylethanoylcarbamothioylamino)benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-(2,2-diphenylethanoylcarbamothioylamino)benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[(2,2-diphenylacetyl)carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[(2,2-diphenylacetyl)carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[(2,2-diphenylacetyl)thiocarbamoylamino]benzamide Formula: C28H28ClN3O2S MolecularWeight: 506.05882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H28ClN3O2S/c29-24-17-16-22(18-23(24)26(33)30-21-14-8-3-9-15-21)31-28(35)32-27(34)25(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-18,21,25H,3,8-9,14-15H2,(H,30,33)(H2,31,32,34,35)