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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-piperonyl-benzamide Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O3S/c1-3-29(4-2)22-12-21(25)27-24(28-22)33-14-16-5-8-18(9-6-16)23(30)26-13-17-7-10-19-20(11-17)32-15-31-19/h5-12H,3-4,13-15H2,1-2H3,(H,26,30)