methyl 2-[4-[(4-sulfamoylphenyl)methylcarbamothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(4-sulfamoylphenyl)methylcarbamothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(4-sulfamoylphenyl)methylcarbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-sulfamoylphenyl)methylcarbamothioylamino]phenyl]acetate Traditional Name: 2-[4-[(4-sulfamoylbenzyl)thiocarbamoylamino]phenyl]acetic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C17H19N3O4S2/c1-24-16(21)10-12-2-6-14(7-3-12)20-17(25)19-11-13-4-8-15(9-5-13)26(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)(H2,19,20,25)