4-[5-tert-butyl-3-oxidanylidene-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,2-oxazol-2-yl]-N-hexadecyl-3-nitro-benzamide

Systemtic Name: 4-[5-tert-butyl-3-oxidanylidene-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,2-oxazol-2-yl]-N-hexadecyl-3-nitro-benzamide Openeye Name: 4-[5-tert-butyl-3-oxo-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]isoxazol-2-yl]-N-hexadecyl-3-nitro-benzamide CAS Name: 4-[5-tert-butyl-3-oxo-4-[[(1-phenyl-5-tetrazolyl)thio]methyl]-2-isoxazolyl]-N-hexadecyl-3-nitrobenzamide IUPAC Name: 4-[5-tert-butyl-3-oxo-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2-oxazol-2-yl]-N-hexadecyl-3-nitrobenzamide Traditional Name: 4-[5-tert-butyl-3-keto-4-[[(1-phenyltetrazol-5-yl)thio]methyl]-4-isoxazolin-2-yl]-N-cetyl-3-nitro-benzamide Formula: C38H53N7O5S MolecularWeight: 719.93632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)CSC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)CSC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C38H53N7O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-39-35(46)29-24-25-32(33(27-29)45(48)49)44-36(47)31(34(50-44)38(2,3)4)28-51-37-40-41-42-43(37)30-22-19-18-20-23-30/h18-20,22-25,27H,5-17,21,26,28H2,1-4H3,(H,39,46)