N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c26-20(15-28-19-12-5-2-6-13-19)23-17-10-7-11-18(14-17)24-22(29)25-21(27)16-8-3-1-4-9-16/h2,5-7,10-14,16H,1,3-4,8-9,15H2,(H,23,26)(H2,24,25,27,29)