N-[(5-tert-butyl-2-oxidanyl-phenyl)carbamothioyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[(5-tert-butyl-2-oxidanyl-phenyl)carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(5-tert-butyl-2-hydroxy-phenyl)carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(5-tert-butyl-2-hydroxyanilino)-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(5-tert-butyl-2-hydroxy-phenyl)thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-11-9-12(5-7-15(11)22(25)26)17(24)21-18(27)20-14-10-13(19(2,3)4)6-8-16(14)23/h5-10,23H,1-4H3,(H2,20,21,24,27)