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

Systemtic Name: N-(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]acetamide IUPAC Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]acetamide Formula: C22H23BrN4O2S2 MolecularWeight: 519.47762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23BrN4O2S2/c1-25-18-8-7-16(23)13-19(18)31-22(25)24-20(28)14-30-15-21(29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3