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

Systemtic Name: ethyl 4-[2-[2-[(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(6-ethoxy-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-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-[(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H30N4O5S2 MolecularWeight: 494.6274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S2/c1-4-26-17-8-7-16(30-5-2)13-18(17)33-21(26)23-19(27)14-32-15-20(28)24-9-11-25(12-10-24)22(29)31-6-3/h7-8,13H,4-6,9-12,14-15H2,1-3H3