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

Systemtic Name: N-[(4-methyl-2-nitro-phenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide Openeye Name: N-[(4-methyl-2-nitro-phenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide CAS Name: N-[(4-methyl-2-nitroanilino)-sulfanylidenemethyl]-4-(4-methylphenoxy)butanamide IUPAC Name: N-[(4-methyl-2-nitrophenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide Traditional Name: N-[(4-methyl-2-nitro-phenyl)thiocarbamoyl]-4-(4-methylphenoxy)butyramide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-13-5-8-15(9-6-13)26-11-3-4-18(23)21-19(27)20-16-10-7-14(2)12-17(16)22(24)25/h5-10,12H,3-4,11H2,1-2H3,(H2,20,21,23,27)