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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-piperonyl-benzamide Formula: C26H29ClN4O3S MolecularWeight: 513.05146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C26H29ClN4O3S/c1-3-10-31(11-4-2)24-14-23(27)29-26(30-24)35-16-19-6-5-7-20(12-19)25(32)28-15-18-8-9-21-22(13-18)34-17-33-21/h5-9,12-14H,3-4,10-11,15-17H2,1-2H3,(H,28,32)