N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4,5-dimethylthiazol-2-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4,5-dimethyl-2-thiazolyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4,5-dimethylthiazol-2-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C16H20N4O3S3 MolecularWeight: 412.55

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C16H20N4O3S3/c1-11-12(2)25-16(18-11)19-14(21)10-24-15-6-5-13(9-17-15)26(22,23)20-7-3-4-8-20/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,19,21)