methyl 3-[(4-phenoxyphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 3-[(4-phenoxyphenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(4-phenoxyphenyl)carbamothioylamino]benzoate CAS Name: 3-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-phenoxyphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-phenoxyphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c1-25-20(24)15-6-5-7-17(14-15)23-21(27)22-16-10-12-19(13-11-16)26-18-8-3-2-4-9-18/h2-14H,1H3,(H2,22,23,27)