(E)-3-(4-methoxyphenyl)-N-[4-oxidanylbutyl-(phenylmethyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[4-oxidanylbutyl-(phenylmethyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[benzyl(4-hydroxybutyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[4-hydroxybutyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[benzyl(4-hydroxybutyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[benzyl(4-hydroxybutyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)N(CCCCO)CC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(CCCCO)CC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O3S/c1-27-20-12-9-18(10-13-20)11-14-21(26)23-22(28)24(15-5-6-16-25)17-19-7-3-2-4-8-19/h2-4,7-14,25H,5-6,15-17H2,1H3,(H,23,26,28)/b14-11+