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

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-4-(4-methylphenoxy)butanamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-4-(4-methylphenoxy)butyramide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O5S/c1-13-5-8-15(9-6-13)27-11-3-4-18(23)21-19(28)20-16-12-14(22(24)25)7-10-17(16)26-2/h5-10,12H,3-4,11H2,1-2H3,(H2,20,21,23,28)