6-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: 6-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: 6-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-6-methyl-2,3-dihydrobenzothiophene-2-carboxamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)C=C1

InChI

InChI=1S/C19H20N4O2S/c1-12-2-3-13-9-16(26-15(13)8-12)19(25)22-14-4-5-17(21-10-14)23-7-6-20-18(24)11-23/h2-5,8,10,16H,6-7,9,11H2,1H3,(H,20,24)(H,22,25)