N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-imidazol-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-imidazol-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-imidazol-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[2-(1-imidazolyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-imidazol-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-homopiperonyl-2-[(2-imidazol-1-ylpyrimidin-4-yl)thio]acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CSC3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CSC3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C18H17N5O3S/c24-16(20-5-3-13-1-2-14-15(9-13)26-12-25-14)10-27-17-4-6-21-18(22-17)23-8-7-19-11-23/h1-2,4,6-9,11H,3,5,10,12H2,(H,20,24)