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

Systemtic Name: methyl 2-[4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[[2-(4-sulfamoylphenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]phenyl]acetate Traditional Name: 2-[4-[2-(4-sulfamoylphenyl)ethylthiocarbamoylamino]phenyl]acetic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O4S2/c1-25-17(22)12-14-2-6-15(7-3-14)21-18(26)20-11-10-13-4-8-16(9-5-13)27(19,23)24/h2-9H,10-12H2,1H3,(H2,19,23,24)(H2,20,21,26)