2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzo[f]chromen-3-one

Systemtic Name: 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzo[f]chromen-3-one Openeye Name: 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzo[f]chromen-3-one CAS Name: 2-[[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-3-benzo[f][1]benzopyranone IUPAC Name: 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzo[f]chromen-3-one Traditional Name: 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzo[f]chromen-3-one Formula: C25H18N4O5S MolecularWeight: 486.49922

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=CC5=C(C=CC6=CC=CC=C65)OC4=O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=C(C=CC6=CC=CC=C65)OC4=O

InChI

InChI=1S/C25H18N4O5S/c30-23(19-14-18-17-4-2-1-3-15(17)5-8-21(18)34-24(19)31)27-9-11-28(12-10-27)25-26-20-7-6-16(29(32)33)13-22(20)35-25/h1-8,13-14H,9-12H2