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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-isopropylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: 2-[(2-isopropylquinazolin-4-yl)thio]-N-piperonyl-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O3S/c1-13(2)20-23-16-6-4-3-5-15(16)21(24-20)28-11-19(25)22-10-14-7-8-17-18(9-14)27-12-26-17/h3-9,13H,10-12H2,1-2H3,(H,22,25)