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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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