N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H22N4O3S3/c1-23(13-19-22-16-6-2-3-7-17(16)29-19)20(25)14-28-18-9-8-15(12-21-18)30(26,27)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3