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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S3/c25-18(13-29-20-17-8-11-28-19(17)21-14-22-20)23-15-6-5-7-16(12-15)30(26,27)24-9-3-1-2-4-10-24/h5-8,11-12,14H,1-4,9-10,13H2,(H,23,25)