5-bromanyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-1-naphthamide Formula: C18H12BrN3O4S MolecularWeight: 446.27458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H12BrN3O4S/c19-14-6-2-3-11-12(14)4-1-5-13(11)17(24)21-18(27)20-15-9-10(22(25)26)7-8-16(15)23/h1-9,23H,(H2,20,21,24,27)