(2-piperidin-1-ylcarbothioylphenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (2-piperidin-1-ylcarbothioylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-(piperidine-1-carbothioyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-(piperidine-1-carbothioyl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=CC=C2C(=S)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=CC=C2C(=S)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S/c1-13-16(22(25)26)11-14(12-17(13)23(27)28)20(24)29-18-8-4-3-7-15(18)19(30)21-9-5-2-6-10-21/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3