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

Systemtic Name: (E)-3-(4-methylphenyl)-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-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[[[4-hydroxy-1-(methylthio)-4-prop-2-enylhept-6-en-3-yl]amino]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[[2-allyl-2-hydroxy-1-[2-(methylthio)ethyl]pent-4-enyl]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC(CCSC)C(CC=C)(CC=C)O

InChI

InChI=1S/C22H30N2O2S2/c1-5-14-22(26,15-6-2)19(13-16-28-4)23-21(27)24-20(25)12-11-18-9-7-17(3)8-10-18/h5-12,19,26H,1-2,13-16H2,3-4H3,(H2,23,24,25,27)/b12-11+