N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c1-18(2,3)10-8-12(19)15(23)13(9-10)20-17(27)21-16(24)11-6-4-5-7-14(11)22(25)26/h4-9,23H,1-3H3,(H2,20,21,24,27)