3-ethoxy-N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-ethoxy-N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C27H27FN4O3S MolecularWeight: 506.591683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H27FN4O3S/c1-2-35-22-7-5-6-19(18-22)25(33)30-27(36)29-20-10-12-21(13-11-20)31-14-16-32(17-15-31)26(34)23-8-3-4-9-24(23)28/h3-13,18H,2,14-17H2,1H3,(H2,29,30,33,36)