4-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 4-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 4-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 4-[[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C28H31Cl2N5OS MolecularWeight: 556.54964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H31Cl2N5OS/c29-22-5-4-8-24(17-22)34-13-15-35(16-14-34)26-18-25(30)32-28(33-26)37-19-20-9-11-21(12-10-20)27(36)31-23-6-2-1-3-7-23/h4-5,8-12,17-18,23H,1-3,6-7,13-16,19H2,(H,31,36)