1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]-2-(4-nitrophenyl)ethanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O3S/c1-14-11-15(2)20-18(12-14)22-21(29-20)24-9-7-23(8-10-24)19(26)13-16-3-5-17(6-4-16)25(27)28/h3-6,11-12H,7-10,13H2,1-2H3