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

Systemtic Name: (E)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C20H21N3O2S/c1-3-18(24)22-17-13-16(11-9-14(17)2)21-20(26)23-19(25)12-10-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,22,24)(H2,21,23,25,26)/b12-10+