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

Systemtic Name: 3-[[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide Openeye Name: 3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-isopentyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(3-methylbutyl)benzamide IUPAC Name: 3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide Traditional Name: 3-[[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-isoamyl-benzamide Formula: C28H34ClN5O2S MolecularWeight: 540.11986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H34ClN5O2S/c1-20(2)11-12-30-27(35)22-6-4-5-21(17-22)19-37-28-31-25(29)18-26(32-28)34-15-13-33(14-16-34)23-7-9-24(36-3)10-8-23/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,30,35)