[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-phenyl-methanone Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H16N4O3S/c23-17(13-4-2-1-3-5-13)20-8-10-21(11-9-20)18-19-15-7-6-14(22(24)25)12-16(15)26-18/h1-7,12H,8-11H2