ethyl 4-[2-[2-[(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-[(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25BrN4O4S2 MolecularWeight: 529.4709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN4O4S2/c1-3-25-15-6-5-14(21)11-16(15)31-19(25)22-17(26)12-30-13-18(27)23-7-9-24(10-8-23)20(28)29-4-2/h5-6,11H,3-4,7-10,12-13H2,1-2H3