N-(cyclopropylmethyl)-3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(cyclopropylmethyl)-3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(cyclopropylmethyl)-3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(cyclopropylmethyl)-3-[[[4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(cyclopropylmethyl)-3-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(cyclopropylmethyl)-3-[[[4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C23H32N5OS+ MolecularWeight: 426.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2)C)SCC3=CC=CC(=C3)C(=O)NCC4CC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2)C)SCC3=CC=CC(=C3)C(=O)NCC4CC4

InChI

InChI=1S/C23H31N5OS/c1-3-27-9-11-28(12-10-27)21-13-17(2)25-23(26-21)30-16-19-5-4-6-20(14-19)22(29)24-15-18-7-8-18/h4-6,13-14,18H,3,7-12,15-16H2,1-2H3,(H,24,29)/p+1