2-[4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-6-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-6-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-[(E)-cinnamyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: 2-[4-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]-1H-pyrimidin-6-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-6-yl]acetamide Traditional Name: N-benzyl-2-[2-[[(E)-cinnamyl]thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CC2=CC(=O)N=C(N2)SCC=CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CC2=CC(=O)N=C(N2)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S/c26-20(23-16-18-10-5-2-6-11-18)14-19-15-21(27)25-22(24-19)28-13-7-12-17-8-3-1-4-9-17/h1-12,15H,13-14,16H2,(H,23,26)(H,24,25,27)/b12-7+