ethyl 4-[4-[2-diethylaminoethyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-diethylaminoethyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[2-diethylaminoethyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[2-diethylaminoethyl-[6-(methylthio)-1,3-benzothiazol-2-yl]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-diethylaminoethyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[2-diethylaminoethyl-[6-(methylthio)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C28H37N5O5S3 MolecularWeight: 619.81888

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C28H37N5O5S3/c1-5-30(6-2)14-19-33(27-29-24-13-10-22(39-4)20-25(24)40-27)26(34)21-8-11-23(12-9-21)41(36,37)32-17-15-31(16-18-32)28(35)38-7-3/h8-13,20H,5-7,14-19H2,1-4H3