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

Systemtic Name: (4-piperidin-1-ylcarbothioylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-(piperidine-1-carbothioyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(piperidine-1-carbothioyl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-(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=C(C=C2)C(=S)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=S)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S/c1-13-17(22(25)26)11-15(12-18(13)23(27)28)20(24)29-16-7-5-14(6-8-16)19(30)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3