N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-thiophen-2-ylcarbonyl-benzamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-thiophen-2-ylcarbonyl-benzamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-(thiophene-2-carbonyl)benzamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-[oxo(thiophen-2-yl)methyl]benzamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-(thiophene-2-carbonyl)benzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-(2-thenoyl)benzamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N4O3S/c26-19-13-25(10-9-22-19)18-8-7-14(12-23-18)24-21(28)16-5-2-1-4-15(16)20(27)17-6-3-11-29-17/h1-8,11-12H,9-10,13H2,(H,22,26)(H,24,28)