3-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylsulfanyl-1-thiophen-2-yl-propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylsulfanyl-1-thiophen-2-yl-propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(8-quinolylsulfanyl)-1-(2-thienyl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(8-quinolinylthio)-1-thiophen-2-yl-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylsulfanyl-1-thiophen-2-ylpropan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(8-quinolylthio)-1-(2-thienyl)propan-1-one Formula: C23H17NO3S2 MolecularWeight: 419.51598

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=CS3)SC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=CS3)SC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C23H17NO3S2/c25-17(20-7-3-11-28-20)13-22(16-8-9-18-19(12-16)27-14-26-18)29-21-6-1-4-15-5-2-10-24-23(15)21/h1-12,22H,13-14H2