N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]acetamide IUPAC Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O4S2/c1-24-18-8-7-17(27(30)31)13-19(18)33-22(24)23-20(28)14-32-15-21(29)26-11-9-25(10-12-26)16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3