2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-8-methyl-5H-thieno[3,2-c]quinolin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-8-methyl-5H-thieno[3,2-c]quinolin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one Traditional Name: 8-methyl-2-(4-piperonylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one Formula: C25H23N3O4S MolecularWeight: 461.53282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H23N3O4S/c1-15-2-4-19-17(10-15)23-18(24(29)26-19)12-22(33-23)25(30)28-8-6-27(7-9-28)13-16-3-5-20-21(11-16)32-14-31-20/h2-5,10-12H,6-9,13-14H2,1H3,(H,26,29)