4-nitro-N-(2-piperazin-1-ylethyl)-1,3-benzothiazol-5-amine

Systemtic Name: 4-nitro-N-(2-piperazin-1-ylethyl)-1,3-benzothiazol-5-amine Openeye Name: 4-nitro-N-(2-piperazin-1-ylethyl)-1,3-benzothiazol-5-amine CAS Name: 4-nitro-N-[2-(1-piperazinyl)ethyl]-1,3-benzothiazol-5-amine IUPAC Name: 4-nitro-N-(2-piperazin-1-ylethyl)-1,3-benzothiazol-5-amine Traditional Name: (4-nitro-1,3-benzothiazol-5-yl)-(2-piperazinoethyl)amine Formula: C13H17N5O2S MolecularWeight: 307.37138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)CCNC2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O2S/c19-18(20)13-10(1-2-11-12(13)16-9-21-11)15-5-8-17-6-3-14-4-7-17/h1-2,9,14-15H,3-8H2