N-[(3-hexoxyphenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(3-hexoxyphenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(3-hexoxyphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(3-hexoxyanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(3-hexoxyphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3-hexoxyphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-2-3-4-7-13-27-16-10-8-9-15(14-16)21-20(28)22-19(24)17-11-5-6-12-18(17)23(25)26/h5-6,8-12,14H,2-4,7,13H2,1H3,(H2,21,22,24,28)