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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclohexylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclohexylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyclohexyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide Traditional Name: 2-[(2-cyclohexylquinazolin-4-yl)thio]-N-piperonyl-acetamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O3S/c28-22(25-13-16-10-11-20-21(12-16)30-15-29-20)14-31-24-18-8-4-5-9-19(18)26-23(27-24)17-6-2-1-3-7-17/h4-5,8-12,17H,1-3,6-7,13-15H2,(H,25,28)