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

Systemtic Name: 5-bromanyl-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[(4-chloro-2-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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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