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

Systemtic Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C29H23FN4O2S MolecularWeight: 510.581923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)C=CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)/C=C/C4=CC=C(C=C4)F

InChI

InChI=1S/C29H23FN4O2S/c30-21-13-10-20(11-14-21)12-19-27(35)34-29(37)33-26-9-5-4-8-25(26)28(36)32-24-17-15-23(16-18-24)31-22-6-2-1-3-7-22/h1-19,31H,(H,32,36)(H2,33,34,35,37)/b19-12+