4-fluoranyl-N-[6-[4-(1-methoxypropan-2-ylcarbamothioyl)piperazin-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[6-[4-(1-methoxypropan-2-ylcarbamothioyl)piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-fluoro-N-[6-[4-[(2-methoxy-1-methyl-ethyl)carbamothioyl]piperazin-1-yl]-3-pyridyl]benzamide CAS Name: 4-fluoro-N-[6-[4-[(1-methoxypropan-2-ylamino)-sulfanylidenemethyl]-1-piperazinyl]-3-pyridinyl]benzamide IUPAC Name: 4-fluoro-N-[6-[4-(1-methoxypropan-2-ylcarbamothioyl)piperazin-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-fluoro-N-[6-[4-[(2-methoxy-1-methyl-ethyl)thiocarbamoyl]piperazino]-3-pyridyl]benzamide Formula: C21H26FN5O2S MolecularWeight: 431.526843

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(COC)NC(=S)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN5O2S/c1-15(14-29-2)24-21(30)27-11-9-26(10-12-27)19-8-7-18(13-23-19)25-20(28)16-3-5-17(22)6-4-16/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,30)(H,25,28)