N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-piperonyl-benzamide Formula: C25H25ClN4O3S MolecularWeight: 497.009

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C25H25ClN4O3S/c26-22-13-23(30-9-2-1-3-10-30)29-25(28-22)34-15-18-5-4-6-19(11-18)24(31)27-14-17-7-8-20-21(12-17)33-16-32-20/h4-8,11-13H,1-3,9-10,14-16H2,(H,27,31)