3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl]-4-phenethyl-piperazin-2-one

Systemtic Name: 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl]-4-phenethyl-piperazin-2-one Openeye Name: 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl]-4-phenethyl-piperazin-2-one CAS Name: 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-4-phenethyl-2-piperazinone IUPAC Name: 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-4-phenethylpiperazin-2-one Traditional Name: 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl]-4-phenethyl-piperazin-2-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(=O)CC3C(=O)NCCN3CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(=O)CC3C(=O)NCCN3CCC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c25-20(24-11-7-19-17(15-24)8-13-27-19)14-18-21(26)22-9-12-23(18)10-6-16-4-2-1-3-5-16/h1-5,8,13,18H,6-7,9-12,14-15H2,(H,22,26)