(3,5-dinitrophenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3,5-dinitrophenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C20H19N5O5S MolecularWeight: 441.46036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S/c1-2-13-4-3-5-17-18(13)21-20(31-17)23-8-6-22(7-9-23)19(26)14-10-15(24(27)28)12-16(11-14)25(29)30/h3-5,10-12H,2,6-9H2,1H3