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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H24N4O3S3 MolecularWeight: 476.63526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O3S3/c1-15(21-23-17-7-3-4-8-18(17)30-21)24(2)20(26)14-29-19-10-9-16(13-22-19)31(27,28)25-11-5-6-12-25/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3