2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)ethanamide

Systemtic Name: 2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)ethanamide Openeye Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide CAS Name: 2-[[4-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide Traditional Name: 2-[[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-(1-phenylethyl)acetamide Formula: C30H36ClN5O2S MolecularWeight: 566.15714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC(=N3)SCC(=O)NC(C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC(=N3)SCC(=O)NC(C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C30H36ClN5O2S/c1-20-18-35(15-16-36(20)28(38)23-11-13-24(14-12-23)30(3,4)5)26-17-25(31)33-29(34-26)39-19-27(37)32-21(2)22-9-7-6-8-10-22/h6-14,17,20-21H,15-16,18-19H2,1-5H3,(H,32,37)