4-chloranyl-3-[[3-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-chloranyl-3-[[3-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: 4-chloro-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoate CAS Name: 4-chloro-3-[[[[oxo-[3-(phenoxymethyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-chloro-3-[[3-(phenoxymethyl)benzoyl]thiocarbamoylamino]benzoate Formula: C22H16ClN2O4S- MolecularWeight: 439.89144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)[O-])Cl

InChI

InChI=1S/C22H17ClN2O4S/c23-18-10-9-16(21(27)28)12-19(18)24-22(30)25-20(26)15-6-4-5-14(11-15)13-29-17-7-2-1-3-8-17/h1-12H,13H2,(H,27,28)(H2,24,25,26,30)/p-1