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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]butyramide Formula: C18H17Cl2N3O5S MolecularWeight: 458.31568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3O5S/c1-27-16-10-12(23(25)26)5-6-14(16)21-18(29)22-17(24)3-2-8-28-15-7-4-11(19)9-13(15)20/h4-7,9-10H,2-3,8H2,1H3,(H2,21,22,24,29)