(E)-N-[cyclobutylmethyl-(phenylmethyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[cyclobutylmethyl-(phenylmethyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[benzyl(cyclobutylmethyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[[cyclobutylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[benzyl(cyclobutylmethyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[benzyl(cyclobutylmethyl)thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C22H23FN2OS MolecularWeight: 382.494223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN(CC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CC(C1)CN(CC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2OS/c23-20-12-9-17(10-13-20)11-14-21(26)24-22(27)25(16-19-7-4-8-19)15-18-5-2-1-3-6-18/h1-3,5-6,9-14,19H,4,7-8,15-16H2,(H,24,26,27)/b14-11+