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

Systemtic Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C22H24N4O3S3 MolecularWeight: 488.64596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S3/c1-15-5-6-17(11-16(15)2)19-13-31-22(24-19)25-20(27)14-30-21-8-7-18(12-23-21)32(28,29)26-9-3-4-10-26/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,24,25,27)