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

Systemtic Name: 4-methyl-3-[[4-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: 4-methyl-3-[[4-(phenoxymethyl)benzoyl]carbamothioylamino]benzoate CAS Name: 4-methyl-3-[[[[oxo-[4-(phenoxymethyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-methyl-3-[[4-(phenoxymethyl)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-methyl-3-[[4-(phenoxymethyl)benzoyl]thiocarbamoylamino]benzoate Formula: C23H19N2O4S- MolecularWeight: 419.47296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4S/c1-15-7-10-18(22(27)28)13-20(15)24-23(30)25-21(26)17-11-8-16(9-12-17)14-29-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,27,28)(H2,24,25,26,30)/p-1