N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-ethyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-ethyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-ethyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-N-ethylacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-ethylacetamide Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-N-ethyl-N-piperonyl-acetamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5

InChI

InChI=1S/C23H24N4O3S/c1-2-27(12-15-7-10-19-20(11-15)30-14-29-19)21(28)13-31-23-25-18-6-4-3-5-17(18)22(26-23)24-16-8-9-16/h3-7,10-11,16H,2,8-9,12-14H2,1H3,(H,24,25,26)