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

Systemtic Name: ethyl 4-[4-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[4-(methylthio)-1,3-benzothiazol-2-yl]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[4-(methylthio)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H24N4O5S3 MolecularWeight: 520.64476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C22H24N4O5S3/c1-3-31-22(28)25-11-13-26(14-12-25)34(29,30)16-9-7-15(8-10-16)20(27)24-21-23-19-17(32-2)5-4-6-18(19)33-21/h4-10H,3,11-14H2,1-2H3,(H,23,24,27)