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

Systemtic Name: 4-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide Openeye Name: 4-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-pentylbenzamide IUPAC Name: 4-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-pentylbenzamide Traditional Name: N-amyl-4-[[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C27H31Cl2N5OS MolecularWeight: 544.53894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31Cl2N5OS/c1-2-3-4-12-30-26(35)21-10-8-20(9-11-21)19-36-27-31-24(29)18-25(32-27)34-15-13-33(14-16-34)23-7-5-6-22(28)17-23/h5-11,17-18H,2-4,12-16,19H2,1H3,(H,30,35)