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

Systemtic Name: [2-[[tert-butyl-(3-chloranyl-4-formamido-phenyl)carbonyl-amino]carbamoyl]phenoxy] ethanedithioate Openeye Name: [2-[[tert-butyl-(3-chloro-4-formamido-benzoyl)amino]carbamoyl]phenoxy] ethanedithioate CAS Name: ethanedithioic acid [2-[[2-tert-butyl-2-[(3-chloro-4-formamidophenyl)-oxomethyl]hydrazinyl]-oxomethyl]phenoxy] ester IUPAC Name: [2-[[tert-butyl-(3-chloro-4-formamidobenzoyl)amino]carbamoyl]phenoxy] ethanedithioate Traditional Name: ethanedithioic acid [2-[[tert-butyl-(3-chloro-4-formamido-benzoyl)amino]carbamoyl]phenoxy] ester Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4S2/c1-13(30)31-29-18-8-6-5-7-15(18)19(27)24-25(21(2,3)4)20(28)14-9-10-17(23-12-26)16(22)11-14/h5-12H,1-4H3,(H,23,26)(H,24,27)