6-nitro-3-(piperidin-1-ylmethyl)-1,3-benzothiazole-2-thione

Systemtic Name: 6-nitro-3-(piperidin-1-ylmethyl)-1,3-benzothiazole-2-thione Openeye Name: 6-nitro-3-(1-piperidylmethyl)-1,3-benzothiazole-2-thione CAS Name: 6-nitro-3-(1-piperidinylmethyl)-1,3-benzothiazole-2-thione IUPAC Name: 6-nitro-3-(piperidin-1-ylmethyl)-1,3-benzothiazole-2-thione Traditional Name: 6-nitro-3-(piperidinomethyl)-1,3-benzothiazole-2-thione Formula: C13H15N3O2S2 MolecularWeight: 309.4071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S

Isomeric SMILES

C1CCN(CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S

InChI

InChI=1S/C13H15N3O2S2/c17-16(18)10-4-5-11-12(8-10)20-13(19)15(11)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2