2-chloranyl-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[[4-(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=C(C=C3)OCCOC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCOC4=CC=CC=C4)Cl

InChI

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