N-(1,3-benzodioxol-5-yl)-2-(2-cyclohexylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2-cyclohexylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-cyclohexylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-cyclohexyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-cyclohexylquinazolin-4-yl)thio]acetamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O3S/c27-21(24-16-10-11-19-20(12-16)29-14-28-19)13-30-23-17-8-4-5-9-18(17)25-22(26-23)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13-14H2,(H,24,27)