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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=NC(=CS2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=NC(=CS2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C(=O)C

InChI

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