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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S2/c24-18(22-10-8-21(9-11-22)14-4-2-1-3-5-14)13-27-19-20-16-7-6-15(23(25)26)12-17(16)28-19/h1-7,12H,8-11,13H2