3-[[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide Openeye Name: 3-[[4-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-propylbenzamide IUPAC Name: 3-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propylbenzamide Traditional Name: 3-[[[4-chloro-6-[4-[(E)-cinnamyl]piperazino]pyrimidin-2-yl]thio]methyl]-N-propyl-benzamide Formula: C28H32ClN5OS MolecularWeight: 522.10458

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H32ClN5OS/c1-2-13-30-27(35)24-12-6-10-23(19-24)21-36-28-31-25(29)20-26(32-28)34-17-15-33(16-18-34)14-7-11-22-8-4-3-5-9-22/h3-12,19-20H,2,13-18,21H2,1H3,(H,30,35)/b11-7+