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

Systemtic Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-hydroxyethyl)benzamide Openeye Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-hydroxyethyl)benzamide CAS Name: 2-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-hydroxyethyl)benzamide IUPAC Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-hydroxyethyl)benzamide Traditional Name: 2-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]-N-(2-hydroxyethyl)benzamide Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCO)NC(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O3S/c20-14-8-5-13(6-9-14)7-10-17(25)23-19(27)22-16-4-2-1-3-15(16)18(26)21-11-12-24/h1-10,24H,11-12H2,(H,21,26)(H2,22,23,25,27)/b10-7+