2-chloranyl-N-cyclohexyl-5-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[oxo-[2-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[[2-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzamide Formula: C29H30ClN3O4S MolecularWeight: 552.0842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H30ClN3O4S/c30-25-16-15-21(19-24(25)28(35)31-20-9-3-1-4-10-20)32-29(38)33-27(34)23-13-7-8-14-26(23)37-18-17-36-22-11-5-2-6-12-22/h2,5-8,11-16,19-20H,1,3-4,9-10,17-18H2,(H,31,35)(H2,32,33,34,38)