S-[(2-chloranyl-4-nitro-phenyl)methyl] piperidine-1-carbothioate

Systemtic Name: S-[(2-chloranyl-4-nitro-phenyl)methyl] piperidine-1-carbothioate Openeye Name: S-[(2-chloro-4-nitro-phenyl)methyl] piperidine-1-carbothioate CAS Name: 1-piperidinecarbothioic acid S-[(2-chloro-4-nitrophenyl)methyl] ester IUPAC Name: S-[(2-chloro-4-nitrophenyl)methyl] piperidine-1-carbothioate Traditional Name: piperidine-1-carbothioic acid S-(2-chloro-4-nitro-benzyl) ester Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)SCC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)C(=O)SCC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN2O3S/c14-12-8-11(16(18)19)5-4-10(12)9-20-13(17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2