N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C21H23ClN4O3S3 MolecularWeight: 511.08032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl)C

InChI

InChI=1S/C21H23ClN4O3S3/c1-13-14(2)31-21-19(13)20(23-12-24-21)30-11-18(27)25-17-10-15(6-7-16(17)22)32(28,29)26-8-4-3-5-9-26/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,25,27)