(3,5-dinitrophenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3,5-dinitrophenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

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