methyl 4-[[3-[(2-chlorophenyl)carbamoyl]phenoxy]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[3-[(2-chlorophenyl)carbamoyl]phenoxy]carbothioylamino]benzoate Openeye Name: methyl 4-[[3-[(2-chlorophenyl)carbamoyl]phenoxy]carbothioylamino]benzoate CAS Name: 4-[[[3-[(2-chloroanilino)-oxomethyl]phenoxy]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-chlorophenyl)carbamoyl]phenoxy]carbothioylamino]benzoate Traditional Name: 4-[[3-[(2-chlorophenyl)carbamoyl]phenoxy]carbothioylamino]benzoic acid methyl ester Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)OC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)OC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H17ClN2O4S/c1-28-21(27)14-9-11-16(12-10-14)24-22(30)29-17-6-4-5-15(13-17)20(26)25-19-8-3-2-7-18(19)23/h2-13H,1H3,(H,24,30)(H,25,26)