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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]methyl]-N-piperonyl-benzamide Formula: C26H27ClN4O3S MolecularWeight: 511.03558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C26H27ClN4O3S/c1-17-8-10-31(11-9-17)24-13-23(27)29-26(30-24)35-15-18-2-5-20(6-3-18)25(32)28-14-19-4-7-21-22(12-19)34-16-33-21/h2-7,12-13,17H,8-11,14-16H2,1H3,(H,28,32)