N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propionamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-15-14-20(25-28-15)24-22(27)16(2)29-19-11-9-18(10-12-19)23-21(26)13-8-17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,23,26)(H,24,25,27)/b13-8+