4-(4-chloranylphenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-chloranylphenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]butyramide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5S/c1-26-16-9-6-13(22(24)25)11-15(16)20-18(28)21-17(23)3-2-10-27-14-7-4-12(19)5-8-14/h4-9,11H,2-3,10H2,1H3,(H2,20,21,23,28)