2-chloranyl-N-cyclohexyl-5-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[(3-phenethyloxybenzoyl)carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[(3-phenethyloxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[(3-phenethyloxybenzoyl)thiocarbamoylamino]benzamide Formula: C29H30ClN3O3S MolecularWeight: 536.0848

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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=C3)OCCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H30ClN3O3S/c30-26-15-14-23(19-25(26)28(35)31-22-11-5-2-6-12-22)32-29(37)33-27(34)21-10-7-13-24(18-21)36-17-16-20-8-3-1-4-9-20/h1,3-4,7-10,13-15,18-19,22H,2,5-6,11-12,16-17H2,(H,31,35)(H2,32,33,34,37)