5-bromanyl-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]-2-isobutoxy-benzamide Formula: C18H17BrClN3O4S MolecularWeight: 486.76728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17BrClN3O4S/c1-10(2)9-27-16-6-3-11(19)7-13(16)17(24)22-18(28)21-15-5-4-12(23(25)26)8-14(15)20/h3-8,10H,9H2,1-2H3,(H2,21,22,24,28)