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

Systemtic Name: 3-[[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 3-[[4-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 3-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 3-[[[4-chloro-6-[4-[(E)-cinnamyl]piperazino]pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C28H30ClN5OS MolecularWeight: 520.0887

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H30ClN5OS/c29-25-19-26(34-16-14-33(15-17-34)13-5-9-21-6-2-1-3-7-21)32-28(31-25)36-20-22-8-4-10-23(18-22)27(35)30-24-11-12-24/h1-10,18-19,24H,11-17,20H2,(H,30,35)/b9-5+