[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate Openeye Name: [2-(2-methoxyanilino)-2-oxo-ethyl] (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate CAS Name: (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioic acid [2-(2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyanilino)-2-oxoethyl] (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate Traditional Name: (E)-N-brosylbenzenecarboximidothioic acid [2-keto-2-(o-anisidino)ethyl] ester Formula: C22H19BrN2O4S2 MolecularWeight: 519.43126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC(=NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CS/C(=N/S(=O)(=O)C2=CC=C(C=C2)Br)/C3=CC=CC=C3

InChI

InChI=1S/C22H19BrN2O4S2/c1-29-20-10-6-5-9-19(20)24-21(26)15-30-22(16-7-3-2-4-8-16)25-31(27,28)18-13-11-17(23)12-14-18/h2-14H,15H2,1H3,(H,24,26)/b25-22+