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

Systemtic Name: 2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-phenethyl-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)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C30H36ClN5O2S/c1-21-19-35(16-17-36(21)28(38)23-10-12-24(13-11-23)30(2,3)4)26-18-25(31)33-29(34-26)39-20-27(37)32-15-14-22-8-6-5-7-9-22/h5-13,18,21H,14-17,19-20H2,1-4H3,(H,32,37)