ethyl 4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-benzoyl-4-chloro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-benzoyl-4-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzoyl-4-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-benzoyl-4-chloro-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H19ClN2O3S MolecularWeight: 438.92656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H19ClN2O3S/c1-2-29-22(28)16-8-11-18(12-9-16)25-23(30)26-20-13-10-17(24)14-19(20)21(27)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H2,25,26,30)