N-[(2,5-dimethylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(2,5-dimethylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(2,5-dimethylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(2,5-dimethylanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(2,5-dimethylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(2,5-dimethylphenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-4-25-16-8-7-13(10-15(16)21(23)24)17(22)20-18(26)19-14-9-11(2)5-6-12(14)3/h5-10H,4H2,1-3H3,(H2,19,20,22,26)