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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCOCC6

Isomeric SMILES

CC1=C(SC=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCOCC6

InChI

InChI=1S/C29H29N3O4S2/c1-19-7-12-38-27(19)29(33)32(16-20-3-6-25-26(13-20)36-18-35-25)17-22-14-21-4-5-23(37-2)15-24(21)30-28(22)31-8-10-34-11-9-31/h3-7,12-15H,8-11,16-18H2,1-2H3