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

Systemtic Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(p-tolyl)thiazol-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[4-(4-methylphenyl)-2-thiazolyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[4-(p-tolyl)thiazol-2-yl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H22N4O3S3 MolecularWeight: 474.61938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O3S3/c1-15-4-6-16(7-5-15)18-13-30-21(23-18)24-19(26)14-29-20-9-8-17(12-22-20)31(27,28)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,24,26)