1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-14-2-7-17-18(12-14)28-20(21-17)23-10-8-22(9-11-23)19(25)13-15-3-5-16(6-4-15)24(26)27/h2-7,12H,8-11,13H2,1H3