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

Systemtic Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]acetamide IUPAC Name: N-[3-(2-methoxyethyl)-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-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Formula: C24H27N5O5S2 MolecularWeight: 529.63168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O5S2/c1-34-14-13-28-20-8-7-19(29(32)33)15-21(20)36-24(28)25-22(30)16-35-17-23(31)27-11-9-26(10-12-27)18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3