[2-[[tert-butyl-(3-chloranyl-4-formamido-phenyl)carbonyl-amino]-methyl-carbamoyl]phenoxy] ethanedithioate

Systemtic Name: [2-[[tert-butyl-(3-chloranyl-4-formamido-phenyl)carbonyl-amino]-methyl-carbamoyl]phenoxy] ethanedithioate Openeye Name: [2-[[tert-butyl-(3-chloro-4-formamido-benzoyl)amino]-methyl-carbamoyl]phenoxy] ethanedithioate CAS Name: ethanedithioic acid [2-[[[tert-butyl-[(3-chloro-4-formamidophenyl)-oxomethyl]amino]-methylamino]-oxomethyl]phenoxy] ester IUPAC Name: [2-[[tert-butyl-(3-chloro-4-formamidobenzoyl)amino]-methylcarbamoyl]phenoxy] ethanedithioate Traditional Name: ethanedithioic acid [2-[[tert-butyl-(3-chloro-4-formamido-benzoyl)amino]-methyl-carbamoyl]phenoxy] ester Formula: C22H24ClN3O4S2 MolecularWeight: 494.02666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)SOC1=CC=CC=C1C(=O)N(C)N(C(=O)C2=CC(=C(C=C2)NC=O)Cl)C(C)(C)C

Isomeric SMILES

CC(=S)SOC1=CC=CC=C1C(=O)N(C)N(C(=O)C2=CC(=C(C=C2)NC=O)Cl)C(C)(C)C

InChI

InChI=1S/C22H24ClN3O4S2/c1-14(31)32-30-19-9-7-6-8-16(19)21(29)25(5)26(22(2,3)4)20(28)15-10-11-18(24-13-27)17(23)12-15/h6-13H,1-5H3,(H,24,27)