N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C23H28N4O4S4 MolecularWeight: 552.75282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H28N4O4S4/c1-32-17-6-7-18-20(16-17)34-23(24-18)26(10-9-25-11-13-31-14-12-25)22(28)19-4-2-8-27(19)35(29,30)21-5-3-15-33-21/h3,5-7,15-16,19H,2,4,8-14H2,1H3