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

Systemtic Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-nitrophenyl)methanone Openeye Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-nitrophenyl)methanone CAS Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-nitrophenyl)methanone IUPAC Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-nitrophenyl)methanone Traditional Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-(2-nitrophenyl)methanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-2-14-7-8-16-18(13-14)28-20(21-16)23-11-9-22(10-12-23)19(25)15-5-3-4-6-17(15)24(26)27/h3-8,13H,2,9-12H2,1H3