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

Systemtic Name: N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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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)Cl)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4S/c1-10-7-11(5-6-15(10)23(26)27)17(25)22-18(28)21-14-9-12(19(2,3)4)8-13(20)16(14)24/h5-9,24H,1-4H3,(H2,21,22,25,28)