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

Systemtic Name: methyl 4-[(4-methylsulfonylphenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-methylsulfonylphenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(4-methylsulfonylphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylsulfonylphenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(4-mesylbenzyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S2/c1-23-16(20)13-5-7-14(8-6-13)19-17(24)18-11-12-3-9-15(10-4-12)25(2,21)22/h3-10H,11H2,1-2H3,(H2,18,19,24)