methyl 4-[(4-methylsulfanylphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-methylsulfanylphenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-methylsulfanylphenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(methylthio)phenyl]methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylsulfanylphenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[[4-(methylthio)benzyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S2/c1-21-16(20)13-5-7-14(8-6-13)19-17(22)18-11-12-3-9-15(23-2)10-4-12/h3-10H,11H2,1-2H3,(H2,18,19,22)