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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-cyclopropyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide Traditional Name: 2-[(2-cyclopropylquinazolin-4-yl)thio]-N-piperonyl-acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O3S/c25-19(22-10-13-5-8-17-18(9-13)27-12-26-17)11-28-21-15-3-1-2-4-16(15)23-20(24-21)14-6-7-14/h1-5,8-9,14H,6-7,10-12H2,(H,22,25)