N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-3-yl)methyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-3-yl)methyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-morpholino-3-quinolyl)methyl]-2-(3-thienyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-(methylthio)-2-(4-morpholinyl)-3-quinolinyl]methyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2-thiophen-3-ylacetamide Traditional Name: N-[[7-(methylthio)-2-morpholino-3-quinolyl]methyl]-N-piperonyl-2-(3-thienyl)acetamide Formula: C29H29N3O4S2 MolecularWeight: 547.68826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CSC=C5)N6CCOCC6

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CSC=C5)N6CCOCC6

InChI

InChI=1S/C29H29N3O4S2/c1-37-24-4-3-22-14-23(29(30-25(22)15-24)31-7-9-34-10-8-31)17-32(28(33)13-21-6-11-38-18-21)16-20-2-5-26-27(12-20)36-19-35-26/h2-6,11-12,14-15,18H,7-10,13,16-17,19H2,1H3