N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[(3-bromo-4-methoxy-phenyl)carbamothioyl]-2-chloro-5-nitro-benzamide CAS Name: N-[(3-bromo-4-methoxyanilino)-sulfanylidenemethyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[(3-bromo-4-methoxy-phenyl)thiocarbamoyl]-2-chloro-5-nitro-benzamide Formula: C15H11BrClN3O4S MolecularWeight: 444.68754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrClN3O4S/c1-24-13-5-2-8(6-11(13)16)18-15(25)19-14(21)10-7-9(20(22)23)3-4-12(10)17/h2-7H,1H3,(H2,18,19,21,25)