N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide

Systemtic Name: N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide CAS Name: N-[3-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methylpropanamide Traditional Name: 2-methyl-N-[3-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]phenyl]propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C

InChI

InChI=1S/C22H25N3O3S/c1-4-28-19-11-8-16(9-12-19)10-13-20(26)25-22(29)24-18-7-5-6-17(14-18)23-21(27)15(2)3/h5-15H,4H2,1-3H3,(H,23,27)(H2,24,25,26,29)/b13-10+