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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3COC4=CC=CC=C4O3)C(=O)C5=CC=CS5)N6CCOCC6

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3COC4=CC=CC=C4O3)C(=O)C5=CC=CS5)N6CCOCC6

InChI

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