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

Systemtic Name: 4-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 4-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 4-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 4-[[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C30H29Cl2N5OS MolecularWeight: 578.55516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=NC(=N3)SCC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=NC(=N3)SCC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5)Cl

InChI

InChI=1S/C30H29Cl2N5OS/c31-25-7-4-8-26(19-25)36-15-17-37(18-16-36)28-20-27(32)34-30(35-28)39-21-23-9-11-24(12-10-23)29(38)33-14-13-22-5-2-1-3-6-22/h1-12,19-20H,13-18,21H2,(H,33,38)