2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 2-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22FN3O2S/c1-17(19-7-3-2-4-8-19)27-24(31)21-9-5-6-10-22(21)28-25(32)29-23(30)16-13-18-11-14-20(26)15-12-18/h2-17H,1H3,(H,27,31)(H2,28,29,30,32)/b16-13+