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

Systemtic Name: [2-[[tert-butyl-(3-chloranyl-4-formamido-phenyl)carbonyl-amino]-ethyl-carbamoyl]phenoxy] ethanedithioate Openeye Name: [2-[[tert-butyl-(3-chloro-4-formamido-benzoyl)amino]-ethyl-carbamoyl]phenoxy] ethanedithioate CAS Name: ethanedithioic acid [2-[[[tert-butyl-[(3-chloro-4-formamidophenyl)-oxomethyl]amino]-ethylamino]-oxomethyl]phenoxy] ester IUPAC Name: [2-[[tert-butyl-(3-chloro-4-formamidobenzoyl)amino]-ethylcarbamoyl]phenoxy] ethanedithioate Traditional Name: ethanedithioic acid [2-[[tert-butyl-(3-chloro-4-formamido-benzoyl)amino]-ethyl-carbamoyl]phenoxy] ester Formula: C23H26ClN3O4S2 MolecularWeight: 508.05324

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC=CC=C1OSC(=S)C)N(C(=O)C2=CC(=C(C=C2)NC=O)Cl)C(C)(C)C

Isomeric SMILES

CCN(C(=O)C1=CC=CC=C1OSC(=S)C)N(C(=O)C2=CC(=C(C=C2)NC=O)Cl)C(C)(C)C

InChI

InChI=1S/C23H26ClN3O4S2/c1-6-26(22(30)17-9-7-8-10-20(17)31-33-15(2)32)27(23(3,4)5)21(29)16-11-12-19(25-14-28)18(24)13-16/h7-14H,6H2,1-5H3,(H,25,28)