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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)N(CCCCO)C2=CC(=CC=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(CCCCO)C2=CC(=CC=C2)OC

InChI

InChI=1S/C22H26N2O3S/c1-17-8-10-18(11-9-17)12-13-21(26)23-22(28)24(14-3-4-15-25)19-6-5-7-20(16-19)27-2/h5-13,16,25H,3-4,14-15H2,1-2H3,(H,23,26,28)/b13-12+