4-[2,4-bis(chloranyl)phenoxy]-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]butyramide Formula: C17H15Cl2N3O5S MolecularWeight: 444.2891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2N3O5S/c18-10-3-6-15(12(19)8-10)27-7-1-2-16(24)21-17(28)20-13-9-11(22(25)26)4-5-14(13)23/h3-6,8-9,23H,1-2,7H2,(H2,20,21,24,28)