3-bromanyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-4-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)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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