2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C25H23N3O3S3 MolecularWeight: 509.66342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S3/c29-22(19-9-11-20(12-10-19)34(30,31)28-13-5-2-6-14-28)16-33-25-23-21(18-7-3-1-4-8-18)15-32-24(23)26-17-27-25/h1,3-4,7-12,15,17H,2,5-6,13-14,16H2