(E)-N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-methyl-2-furyl)-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(5-methyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-methyl-2-furyl)-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]acrylamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C=CC2=CC=C(O2)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(O2)C

InChI

InChI=1S/C21H25N3O4S/c1-4-14(2)17-7-5-6-8-18(17)27-13-20(26)23-24-21(29)22-19(25)12-11-16-10-9-15(3)28-16/h5-12,14H,4,13H2,1-3H3,(H,23,26)(H2,22,24,25,29)/b12-11+