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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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