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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-3-6-20(26)23-17-7-5-8-18(15-17)24-22(29)25-21(27)14-11-16-9-12-19(13-10-16)28-4-2/h5,7-15H,3-4,6H2,1-2H3,(H,23,26)(H2,24,25,27,29)/b14-11+