methyl 2-[6-bromanyl-2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[1-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]ethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H25BrN4O4S2 MolecularWeight: 577.5137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN4O4S2/c1-33-23(32)14-29-19-8-7-17(25)13-20(19)35-24(29)26-21(30)15-34-16-22(31)28-11-9-27(10-12-28)18-5-3-2-4-6-18/h2-8,13H,9-12,14-16H2,1H3