N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H21ClN4O3S3 MolecularWeight: 497.05374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H21ClN4O3S3/c21-16-6-5-14(31(27,28)25-8-3-1-2-4-9-25)11-17(16)24-18(26)12-30-20-15-7-10-29-19(15)22-13-23-20/h5-7,10-11,13H,1-4,8-9,12H2,(H,24,26)