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

Systemtic Name: 3-bromanyl-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(2-chloro-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C14H9BrClN3O3S MolecularWeight: 414.66156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrClN3O3S/c15-9-3-1-2-8(6-9)13(20)18-14(23)17-12-5-4-10(19(21)22)7-11(12)16/h1-7H,(H2,17,18,20,23)