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

Systemtic Name: ethyl 3-[(4-methylsulfonylphenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-methylsulfonylphenyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(4-methylsulfonylphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methylsulfonylphenyl)methylcarbamothioylamino]benzoate Traditional Name: 3-[(4-mesylbenzyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S2/c1-3-24-17(21)14-5-4-6-15(11-14)20-18(25)19-12-13-7-9-16(10-8-13)26(2,22)23/h4-11H,3,12H2,1-2H3,(H2,19,20,25)