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

Systemtic Name: 3-[[4-chloranyl-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N,N-diethyl-benzamide Openeye Name: 3-[[4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N,N-diethyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(2-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N,N-diethylbenzamide IUPAC Name: 3-[[4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N,N-diethylbenzamide Traditional Name: 3-[[[4-chloro-6-[4-(2-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N,N-diethyl-benzamide Formula: C26H29Cl2N5OS MolecularWeight: 530.51236

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H29Cl2N5OS/c1-3-31(4-2)25(34)20-9-7-8-19(16-20)18-35-26-29-23(28)17-24(30-26)33-14-12-32(13-15-33)22-11-6-5-10-21(22)27/h5-11,16-17H,3-4,12-15,18H2,1-2H3