N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloranyl-6-[4-(2-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloranyl-6-[4-(2-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-chloro-6-[4-[(2-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-[4-(2-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C26H25ClFN5O4S MolecularWeight: 558.024203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC(=O)NCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC(=O)NCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C26H25ClFN5O4S/c1-16-13-32(8-9-33(16)25(35)18-4-2-3-5-19(18)28)23-11-22(27)30-26(31-23)38-14-24(34)29-12-17-6-7-20-21(10-17)37-15-36-20/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,29,34)