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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-3-yl)methyl]-1,3-thiazole-5-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(7-methylsulfanyl-2-morpholino-3-quinolyl)methyl]thiazole-5-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[7-(methylthio)-2-(4-morpholinyl)-3-quinolinyl]methyl]-5-thiazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(7-methylsulfanyl-2-morpholin-4-ylquinolin-3-yl)methyl]-1,3-thiazole-5-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[7-(methylthio)-2-morpholino-3-quinolyl]methyl]thiazole-5-carboxamide Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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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=CN=CS5)N6CCOCC6

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O4S2/c1-37-22-7-6-19-12-20(27(30-23(19)13-22)31-8-10-34-11-9-31)15-32(28(33)26-14-29-18-38-26)16-21-17-35-24-4-2-3-5-25(24)36-21/h2-7,12-14,18,21H,8-11,15-17H2,1H3