4,5-dimethyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]thiophene-2-carboxamide

Systemtic Name: 4,5-dimethyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]thiophene-2-carboxamide Openeye Name: 4,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]thiophene-2-carboxamide CAS Name: 4,5-dimethyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-4,5-dimethyl-thiophene-2-carboxamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)C

InChI

InChI=1S/C16H18N4O2S/c1-10-7-13(23-11(10)2)16(22)19-12-3-4-14(18-8-12)20-6-5-17-15(21)9-20/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,21)(H,19,22)