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

Systemtic Name: ethyl 4-[4-[(6-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(6-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[6-(methylthio)-1,3-benzothiazol-2-yl]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(6-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[6-(methylthio)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H24N4O5S3 MolecularWeight: 520.64476

Click to see the large picture

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=C(C=C4)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC

InChI

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