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

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-(4-chloranylphenoxy)butanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-(4-chlorophenoxy)butanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-(4-chlorophenoxy)butanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-(4-chlorophenoxy)butanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-(4-chlorophenoxy)butyramide Formula: C17H15BrClN3O4S MolecularWeight: 472.7407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C17H15BrClN3O4S/c18-14-10-12(22(24)25)5-8-15(14)20-17(27)21-16(23)2-1-9-26-13-6-3-11(19)4-7-13/h3-8,10H,1-2,9H2,(H2,20,21,23,27)