N-(hexadecylcarbamothioyl)-4-nitro-benzamide

Systemtic Name: N-(hexadecylcarbamothioyl)-4-nitro-benzamide Openeye Name: N-(hexadecylcarbamothioyl)-4-nitro-benzamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-(hexadecylcarbamothioyl)-4-nitrobenzamide Traditional Name: N-(cetylthiocarbamoyl)-4-nitro-benzamide Formula: C24H39N3O3S MolecularWeight: 449.64976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-24(31)26-23(28)21-16-18-22(19-17-21)27(29)30/h16-19H,2-15,20H2,1H3,(H2,25,26,28,31)