N-(4-methyl-4-sulfanyl-pentadecyl)-4-nitro-benzamide

Systemtic Name: N-(4-methyl-4-sulfanyl-pentadecyl)-4-nitro-benzamide Openeye Name: N-(4-methyl-4-sulfanyl-pentadecyl)-4-nitro-benzamide CAS Name: N-(4-mercapto-4-methylpentadecyl)-4-nitrobenzamide IUPAC Name: N-(4-methyl-4-sulfanylpentadecyl)-4-nitrobenzamide Traditional Name: N-(4-mercapto-4-methyl-pentadecyl)-4-nitro-benzamide Formula: C23H38N2O3S MolecularWeight: 422.62442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)(CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])S

Isomeric SMILES

CCCCCCCCCCCC(C)(CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])S

InChI

InChI=1S/C23H38N2O3S/c1-3-4-5-6-7-8-9-10-11-17-23(2,29)18-12-19-24-22(26)20-13-15-21(16-14-20)25(27)28/h13-16,29H,3-12,17-19H2,1-2H3,(H,24,26)