N-(3-imidazol-1-ylpropyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[3-(1-imidazolyl)propyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(3-imidazol-1-ylpropyl)-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-1,2-benzothiazol-3-yl)-(3-imidazol-1-ylpropyl)amine Formula: C13H14N4O2S MolecularWeight: 290.34086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCN3C=CN=C3

InChI

InChI=1S/C13H14N4O2S/c18-20(19)12-5-2-1-4-11(12)13(16-20)15-6-3-8-17-9-7-14-10-17/h1-2,4-5,7,9-10H,3,6,8H2,(H,15,16)