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

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxyphenyl)-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]acrylamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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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=C2OC)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC)C

InChI

InChI=1S/C21H23N3O3S/c1-4-19(25)23-17-13-16(11-9-14(17)2)22-21(28)24-20(26)12-10-15-7-5-6-8-18(15)27-3/h5-13H,4H2,1-3H3,(H,23,25)(H2,22,24,26,28)/b12-10+