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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

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