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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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