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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(4-chlorophenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(4-chlorophenyl)pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3O3S/c21-15-4-2-14(3-5-15)16-7-8-22-20(24-16)28-11-19(25)23-10-13-1-6-17-18(9-13)27-12-26-17/h1-9H,10-12H2,(H,23,25)