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

Systemtic Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O3S2/c1-2-14-4-3-5-18-20(14)23-22(31-18)25-10-8-24(9-11-25)21(27)19-13-15-12-16(26(28)29)6-7-17(15)30-19/h3-7,12-13H,2,8-11H2,1H3