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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-3-yl)methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-N-[(7-methylsulfanyl-2-morpholino-3-quinolyl)methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-N-[[7-(methylthio)-2-(4-morpholinyl)-3-quinolinyl]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-N-[(7-methylsulfanyl-2-morpholin-4-ylquinolin-3-yl)methyl]benzamide Traditional Name: 4-methoxy-N-[[7-(methylthio)-2-morpholino-3-quinolyl]methyl]-N-piperonyl-benzamide Formula: C31H31N3O5S MolecularWeight: 557.65994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCOCC6

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCOCC6

InChI

InChI=1S/C31H31N3O5S/c1-36-25-7-4-22(5-8-25)31(35)34(18-21-3-10-28-29(15-21)39-20-38-28)19-24-16-23-6-9-26(40-2)17-27(23)32-30(24)33-11-13-37-14-12-33/h3-10,15-17H,11-14,18-20H2,1-2H3