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

Systemtic Name: N-cyclohexyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-benzamide Openeye Name: N-cyclohexyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-benzamide CAS Name: N-cyclohexyl-2-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-methylbenzamide IUPAC Name: N-cyclohexyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-methylbenzamide Traditional Name: N-cyclohexyl-2-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]-N-methyl-benzamide Formula: C24H26FN3O2S MolecularWeight: 439.545543

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C24H26FN3O2S/c1-28(19-7-3-2-4-8-19)23(30)20-9-5-6-10-21(20)26-24(31)27-22(29)16-13-17-11-14-18(25)15-12-17/h5-6,9-16,19H,2-4,7-8H2,1H3,(H2,26,27,29,31)/b16-13+