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

Systemtic Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]acetamide IUPAC Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]acetamide Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O4S2/c1-2-27-19-9-8-18(28(31)32)14-20(19)34-23(27)24-21(29)15-33-16-22(30)26-12-10-25(11-13-26)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15-16H2,1H3