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

Systemtic Name: (E)-N-[(1-methylsulfanyl-4-oxidanyl-4-prop-2-enyl-hept-6-en-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[2-allyl-2-hydroxy-1-(2-methylsulfanylethyl)pent-4-enyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[4-hydroxy-1-(methylthio)-4-prop-2-enylhept-6-en-3-yl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[2-allyl-2-hydroxy-1-[2-(methylthio)ethyl]pent-4-enyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S2/c1-4-14-21(25,15-5-2)18(13-16-27-3)22-20(26)23-19(24)12-11-17-9-7-6-8-10-17/h4-12,18,25H,1-2,13-16H2,3H3,(H2,22,23,24,26)/b12-11+