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

Systemtic Name: 2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-N-thiazol-2-yl-propanamide CAS Name: 2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]-N-(2-thiazolyl)propanamide IUPAC Name: 2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]-N-thiazol-2-yl-propionamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CS1)SC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=NC=CS1)SC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2S2/c1-15(20(26)24-21-22-13-14-27-21)28-18-10-8-17(9-11-18)23-19(25)12-7-16-5-3-2-4-6-16/h2-15H,1H3,(H,23,25)(H,22,24,26)/b12-7+