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

Systemtic Name: 1-[4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]-2-(4-nitrophenyl)ethanone Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O3S/c1-13-2-7-16(21)19-18(13)22-20(29-19)24-10-8-23(9-11-24)17(26)12-14-3-5-15(6-4-14)25(27)28/h2-7H,8-12H2,1H3