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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[4-(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=CC=CC2=C1N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

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