(E)-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-14-9-11-18(13-15(14)2)27-16(3)20(26)23-24-21(28)22-19(25)12-10-17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,23,26)(H2,22,24,25,28)/b12-10+