S-(2,3-dinitrooxypropyl) 4-(1-benzothiophen-2-yl)piperidine-1-carbothioate

Systemtic Name: S-(2,3-dinitrooxypropyl) 4-(1-benzothiophen-2-yl)piperidine-1-carbothioate Openeye Name: S-(2,3-dinitrooxypropyl) 4-(benzothiophen-2-yl)piperidine-1-carbothioate CAS Name: 4-(1-benzothiophen-2-yl)-1-piperidinecarbothioic acid S-(2,3-dinitrooxypropyl) ester IUPAC Name: S-(2,3-dinitrooxypropyl) 4-(1-benzothiophen-2-yl)piperidine-1-carbothioate Traditional Name: 4-(benzothiophen-2-yl)piperidine-1-carbothioic acid S-(2,3-dinitrooxypropyl) ester Formula: C17H19N3O7S2 MolecularWeight: 441.47866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3S2)C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3S2)C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O7S2/c21-17(28-11-14(27-20(24)25)10-26-19(22)23)18-7-5-12(6-8-18)16-9-13-3-1-2-4-15(13)29-16/h1-4,9,12,14H,5-8,10-11H2