N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C20H22N4O3S3/c1-13-9-14(2)19-16(10-13)29-20(23-19)22-17(25)12-28-18-6-5-15(11-21-18)30(26,27)24-7-3-4-8-24/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,22,23,25)