N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-oxidanylidenepiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-oxidanylidenepiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-(3-oxo-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-(3-ketopiperazino)nicotinamide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C16H19N5O2S/c1-2-12-10-24-15(20-12)8-19-16(23)11-3-4-13(18-7-11)21-6-5-17-14(22)9-21/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,17,22)(H,19,23)