ethyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]benzoate CAS Name: 4-[[[2-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-[(4-chlorophenyl)thio]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H19ClN2O2S2 MolecularWeight: 442.98146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19ClN2O2S2/c1-2-27-21(26)15-7-11-17(12-8-15)24-22(28)25-19-5-3-4-6-20(19)29-18-13-9-16(23)10-14-18/h3-14H,2H2,1H3,(H2,24,25,28)