S-(4-piperidin-1-ylbutyl) 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-(4-piperidin-1-ylbutyl) 3,5-dinitrobenzenecarbothioate Openeye Name: S-[4-(1-piperidyl)butyl] 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-[4-(1-piperidinyl)butyl] ester IUPAC Name: S-(4-piperidin-1-ylbutyl) 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-(4-piperidinobutyl) ester Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCSC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCCCSC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5S/c20-16(25-9-5-4-8-17-6-2-1-3-7-17)13-10-14(18(21)22)12-15(11-13)19(23)24/h10-12H,1-9H2