3-methoxy-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

Systemtic Name: 3-methoxy-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: 3-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-4-(thiazol-4-ylmethoxy)benzamide CAS Name: 3-methoxy-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: 3-methoxy-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-methoxy-4-(thiazol-4-ylmethoxy)benzamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)OCC4=CSC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)OCC4=CSC=N4

InChI

InChI=1S/C21H21N5O4S/c1-29-18-8-14(2-4-17(18)30-11-16-12-31-13-24-16)21(28)25-15-3-5-19(23-9-15)26-7-6-22-20(27)10-26/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,22,27)(H,25,28)