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

Systemtic Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-4-phenoxy-butanamide Openeye Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-4-phenoxy-butanamide CAS Name: N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-4-phenoxybutanamide IUPAC Name: N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-4-phenoxybutanamide Traditional Name: N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]-4-phenoxy-butyramide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-25-14-9-10-15(16(12-14)21(23)24)19-18(27)20-17(22)8-5-11-26-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,19,20,22,27)