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

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-[[(E)-3-phenylacryloyl]amino]propionamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)CN2CCCCCC2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)CN2CCCCCC2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-17(23-20(27)12-11-18-9-5-4-6-10-18)21(28)25-22-24-19(16-29-22)15-26-13-7-2-3-8-14-26/h4-6,9-12,16-17H,2-3,7-8,13-15H2,1H3,(H,23,27)(H,24,25,28)/b12-11+