N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C18H20N4O2S/c23-17-10-22(8-7-19-17)16-6-5-12(9-20-16)21-18(24)14-11-25-15-4-2-1-3-13(14)15/h5-6,9,11H,1-4,7-8,10H2,(H,19,23)(H,21,24)