(E)-N-[[3-(diethylcarbamothioylamino)phenyl]methyl]-2-methanoyl-3-oxidanyl-prop-2-enamide

Systemtic Name: (E)-N-[[3-(diethylcarbamothioylamino)phenyl]methyl]-2-methanoyl-3-oxidanyl-prop-2-enamide Openeye Name: (E)-N-[[3-(diethylcarbamothioylamino)phenyl]methyl]-2-formyl-3-hydroxy-prop-2-enamide CAS Name: (E)-N-[[3-[[diethylamino(sulfanylidene)methyl]amino]phenyl]methyl]-2-formyl-3-hydroxy-2-propenamide IUPAC Name: (E)-N-[[3-(diethylcarbamothioylamino)phenyl]methyl]-2-formyl-3-hydroxyprop-2-enamide Traditional Name: (E)-N-[3-(diethylthiocarbamoylamino)benzyl]-2-formyl-3-hydroxy-acrylamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NC1=CC=CC(=C1)CNC(=O)C(=CO)C=O

Isomeric SMILES

CCN(CC)C(=S)NC1=CC=CC(=C1)CNC(=O)/C(=C/O)/C=O

InChI

InChI=1S/C16H21N3O3S/c1-3-19(4-2)16(23)18-14-7-5-6-12(8-14)9-17-15(22)13(10-20)11-21/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,17,22)(H,18,23)/b13-10+