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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[N-(4-hydroxybutyl)-3-methoxyanilino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[4-hydroxybutyl-(3-methoxyphenyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-27-19-11-8-17(9-12-19)10-13-21(26)23-22(29)24(14-3-4-15-25)18-6-5-7-20(16-18)28-2/h5-13,16,25H,3-4,14-15H2,1-2H3,(H,23,26,29)/b13-10+