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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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