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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]butanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-(2,4-dichlorophenoxy)butanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-(2,4-dichlorophenoxy)butyramide Formula: C17H14BrCl2N3O4S MolecularWeight: 507.18576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H14BrCl2N3O4S/c18-12-9-11(23(25)26)4-5-14(12)21-17(28)22-16(24)2-1-7-27-15-6-3-10(19)8-13(15)20/h3-6,8-9H,1-2,7H2,(H2,21,22,24,28)