N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O4S/c1-26-16-5-3-15(4-6-16)17-8-9-22-21(24-17)29-12-20(25)23-11-14-2-7-18-19(10-14)28-13-27-18/h2-10H,11-13H2,1H3,(H,23,25)