(E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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)C=CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C18H16N4O3S2/c23-17(6-4-14-2-1-11-26-14)20-7-9-21(10-8-20)18-19-15-5-3-13(22(24)25)12-16(15)27-18/h1-6,11-12H,7-10H2/b6-4+