2-(4-methylphenyl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)thio]-1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-2-(p-tolylthio)ethanone Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S2/c1-14-2-5-16(6-3-14)28-13-19(25)22-8-10-23(11-9-22)20-21-17-7-4-15(24(26)27)12-18(17)29-20/h2-7,12H,8-11,13H2,1H3