ethyl 4-[(2-methylsulfanylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-methylsulfanylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-methylsulfanylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methylsulfanylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[[2-(methylthio)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2SC

InChI

InChI=1S/C17H18N2O2S2/c1-3-21-16(20)12-8-10-13(11-9-12)18-17(22)19-14-6-4-5-7-15(14)23-2/h4-11H,3H2,1-2H3,(H2,18,19,22)