2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-amino-4-phenyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC(=CN3N)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC(=CN3N)C4=CC=CC=C4)OCO2

InChI

InChI=1S/C20H18N4O4S/c1-12(25)14-7-17-18(28-11-27-17)8-15(14)22-19(26)10-29-20-23-16(9-24(20)21)13-5-3-2-4-6-13/h2-9H,10-11,21H2,1H3,(H,22,26)