S-(2,3-dinitrooxypropyl) 2-[(2,3-dimethylphenyl)amino]benzenecarbothioate

Systemtic Name: S-(2,3-dinitrooxypropyl) 2-[(2,3-dimethylphenyl)amino]benzenecarbothioate Openeye Name: S-(2,3-dinitrooxypropyl) 2-(2,3-dimethylanilino)benzenecarbothioate CAS Name: 2-(2,3-dimethylanilino)benzenecarbothioic acid S-(2,3-dinitrooxypropyl) ester IUPAC Name: S-(2,3-dinitrooxypropyl) 2-(2,3-dimethylanilino)benzenecarbothioate Traditional Name: 2-(2,3-dimethylanilino)thiobenzoic acid S-(2,3-dinitrooxypropyl) ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-])C

InChI

InChI=1S/C18H19N3O7S/c1-12-6-5-9-16(13(12)2)19-17-8-4-3-7-15(17)18(22)29-11-14(28-21(25)26)10-27-20(23)24/h3-9,14,19H,10-11H2,1-2H3