ethyl 3-[(4-methylsulfanylphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-methylsulfanylphenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-methylsulfanylphenyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(methylthio)phenyl]methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methylsulfanylphenyl)methylcarbamothioylamino]benzoate Traditional Name: 3-[[4-(methylthio)benzyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H20N2O2S2/c1-3-22-17(21)14-5-4-6-15(11-14)20-18(23)19-12-13-7-9-16(24-2)10-8-13/h4-11H,3,12H2,1-2H3,(H2,19,20,23)