ethyl 4-[4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H31N5O5S3 MolecularWeight: 589.74984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)SC

InChI

InChI=1S/C26H31N5O5S3/c1-3-36-26(33)30-14-16-31(17-15-30)39(34,35)21-7-4-19(5-8-21)24(32)28-10-12-29(13-11-28)25-27-22-9-6-20(37-2)18-23(22)38-25/h4-9,18H,3,10-17H2,1-2H3