2-propanoyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one

Systemtic Name: 2-propanoyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one Openeye Name: 2-propanoyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one CAS Name: 2-(1-oxopropyl)-5-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one IUPAC Name: 2-propanoyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one Traditional Name: 2-propionyl-5-[4-[4-(2-pyrimidyl)piperazino]butyl]-7,8-dihydro-6H-thien[3,2-c]azepin-4-one Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(S1)CCCN(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC(=O)C1=CC2=C(S1)CCCN(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H31N5O2S/c1-2-19(29)21-17-18-20(31-21)7-5-12-27(22(18)30)11-4-3-10-26-13-15-28(16-14-26)23-24-8-6-9-25-23/h6,8-9,17H,2-5,7,10-16H2,1H3