N-[[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]hexadecanamide

Systemtic Name: N-[[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]hexadecanamide Openeye Name: N-[[5-[(E)-3-(2-furyl)prop-2-enoyl]-4-methyl-thiazol-2-yl]carbamothioyl]hexadecanamide CAS Name: N-[[[5-[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-4-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]hexadecanamide IUPAC Name: N-[[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]hexadecanamide Traditional Name: N-[[5-[(E)-3-(2-furyl)acryloyl]-4-methyl-thiazol-2-yl]thiocarbamoyl]palmitamide Formula: C28H41N3O3S2 MolecularWeight: 531.77344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(=S)NC1=NC(=C(S1)C(=O)C=CC2=CC=CO2)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(=S)NC1=NC(=C(S1)C(=O)/C=C/C2=CC=CO2)C

InChI

InChI=1S/C28H41N3O3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25(33)30-27(35)31-28-29-22(2)26(36-28)24(32)20-19-23-17-16-21-34-23/h16-17,19-21H,3-15,18H2,1-2H3,(H2,29,30,31,33,35)/b20-19+