N-[(3-hexoxyphenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(3-hexoxyphenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(3-hexoxyphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(3-hexoxyanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(3-hexoxyphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(3-hexoxyphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-2-3-4-5-13-27-18-8-6-7-16(14-18)21-20(28)22-19(24)15-9-11-17(12-10-15)23(25)26/h6-12,14H,2-5,13H2,1H3,(H2,21,22,24,28)