N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C23H22N4O3S4 MolecularWeight: 530.70578

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H22N4O3S4/c1-31-17-8-9-18-20(13-17)33-23(25-18)26(15-16-5-2-10-24-14-16)22(28)19-6-3-11-27(19)34(29,30)21-7-4-12-32-21/h2,4-5,7-10,12-14,19H,3,6,11,15H2,1H3