S-[2-methanoyl-4-nitro-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[2-methanoyl-4-nitro-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[2-formyl-4-nitro-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[2-formyl-4-nitro-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl] ester IUPAC Name: S-[2-formyl-4-nitro-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[2-formyl-4-nitro-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl] ester Formula: C23H35N3O9S MolecularWeight: 529.6037

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=C(C=C(C=C1C=O)[N+](=O)[O-])CN2CCOCCOCCOCCOCCOCC2

Isomeric SMILES

CN(C)C(=O)SC1=C(C=C(C=C1C=O)[N+](=O)[O-])CN2CCOCCOCCOCCOCCOCC2

InChI

InChI=1S/C23H35N3O9S/c1-24(2)23(28)36-22-19(15-21(26(29)30)16-20(22)18-27)17-25-3-5-31-7-9-33-11-13-35-14-12-34-10-8-32-6-4-25/h15-16,18H,3-14,17H2,1-2H3