(E)-3-(4-fluorophenyl)-N-[(1-methylsulfanyl-4-oxidanyl-4-prop-2-enyl-hept-6-en-3-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[(1-methylsulfanyl-4-oxidanyl-4-prop-2-enyl-hept-6-en-3-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[2-allyl-2-hydroxy-1-(2-methylsulfanylethyl)pent-4-enyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[[4-hydroxy-1-(methylthio)-4-prop-2-enylhept-6-en-3-yl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[2-allyl-2-hydroxy-1-[2-(methylthio)ethyl]pent-4-enyl]thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C21H27FN2O2S2 MolecularWeight: 422.579683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(CC=C)(CC=C)O)NC(=S)NC(=O)C=CC1=CC=C(C=C1)F

Isomeric SMILES

CSCCC(C(CC=C)(CC=C)O)NC(=S)NC(=O)/C=C/C1=CC=C(C=C1)F

InChI

InChI=1S/C21H27FN2O2S2/c1-4-13-21(26,14-5-2)18(12-15-28-3)23-20(27)24-19(25)11-8-16-6-9-17(22)10-7-16/h4-11,18,26H,1-2,12-15H2,3H3,(H2,23,24,25,27)/b11-8+