1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[5-(1-piperidylsulfonyl)indolin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]-2-(4-thieno[3,2-d]pyrimidinylthio)ethanone IUPAC Name: 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-(5-piperidinosulfonylindolin-1-yl)-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone Formula: C21H22N4O3S3 MolecularWeight: 474.61938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CSC4=NC=NC5=C4SC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CSC4=NC=NC5=C4SC=C5

InChI

InChI=1S/C21H22N4O3S3/c26-19(13-30-21-20-17(7-11-29-20)22-14-23-21)25-10-6-15-12-16(4-5-18(15)25)31(27,28)24-8-2-1-3-9-24/h4-5,7,11-12,14H,1-3,6,8-10,13H2