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

Systemtic Name: 4-[[4-chloranyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[4-chloro-6-(4-cinnamylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[4-chloro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[4-chloro-6-(4-cinnamylpiperazino)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=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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