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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-[(3-propionamidophenyl)thiocarbamoyl]acrylamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-3-18(24)21-15-5-4-6-16(13-15)22-20(27)23-19(25)12-9-14-7-10-17(26-2)11-8-14/h4-13H,3H2,1-2H3,(H,21,24)(H2,22,23,25,27)/b12-9+