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

Systemtic Name: ethyl 4-[2-[2-[(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-[(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S2/c1-4-25-16-7-6-15(3)12-17(16)31-20(25)22-18(26)13-30-14-19(27)23-8-10-24(11-9-23)21(28)29-5-2/h6-7,12H,4-5,8-11,13-14H2,1-3H3