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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[4-(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=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H28N4O4S4/c1-32-18-6-2-7-19-21(18)24-23(34-19)26(11-10-25-12-14-31-15-13-25)22(28)17-5-3-9-27(17)35(29,30)20-8-4-16-33-20/h2,4,6-8,16-17H,3,5,9-15H2,1H3