ethyl 3-ethyl-2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[1-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]ethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H30N4O4S2 MolecularWeight: 526.6708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4S2/c1-3-30-21-11-10-19(25(33)34-4-2)16-22(21)36-26(30)27-23(31)17-35-18-24(32)29-14-12-28(13-15-29)20-8-6-5-7-9-20/h5-11,16H,3-4,12-15,17-18H2,1-2H3