N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-phenoxy-butanamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-phenoxy-butanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-phenoxy-butanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-phenoxybutanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-phenoxybutanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-phenoxy-butyramide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O4S/c18-14-11-12(21(23)24)8-9-15(14)19-17(26)20-16(22)7-4-10-25-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H2,19,20,22,26)