(2-methanoyl-4-nitro-phenyl) 4-(phenylmethyl)piperidine-1-carbodithioate

Systemtic Name: (2-methanoyl-4-nitro-phenyl) 4-(phenylmethyl)piperidine-1-carbodithioate Openeye Name: (2-formyl-4-nitro-phenyl) 4-benzylpiperidine-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperidinecarbodithioic acid (2-formyl-4-nitrophenyl) ester IUPAC Name: (2-formyl-4-nitrophenyl) 4-benzylpiperidine-1-carbodithioate Traditional Name: 4-benzylpiperidine-1-carbodithioic acid (2-formyl-4-nitro-phenyl) ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=S)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=S)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C20H20N2O3S2/c23-14-17-13-18(22(24)25)6-7-19(17)27-20(26)21-10-8-16(9-11-21)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2