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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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