N-(4-ethoxyphenyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 2-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C25H22FN3O3S/c1-2-32-20-14-12-19(13-15-20)27-24(31)21-5-3-4-6-22(21)28-25(33)29-23(30)16-9-17-7-10-18(26)11-8-17/h3-16H,2H2,1H3,(H,27,31)(H2,28,29,30,33)/b16-9+