(E)-3-(4-methylphenyl)-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[[3-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[3-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C22H23N3O3S/c1-16-5-7-17(8-6-16)9-10-20(26)24-22(29)23-19-4-2-3-18(15-19)21(27)25-11-13-28-14-12-25/h2-10,15H,11-14H2,1H3,(H2,23,24,26,29)/b10-9+