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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-N-[(7-methylsulfanyl-2-morpholino-3-quinolyl)methyl]thiazole-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-N-[[7-(methylthio)-2-(4-morpholinyl)-3-quinolinyl]methyl]-4-thiazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-N-[(7-methylsulfanyl-2-morpholin-4-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-N-[[7-(methylthio)-2-morpholino-3-quinolyl]methyl]thiazole-4-carboxamide Formula: C29H30N4O4S2 MolecularWeight: 562.7029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)N(CC2COC3=CC=CC=C3O2)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCOCC6

Isomeric SMILES

CC1=NC(=CS1)C(=O)N(CC2COC3=CC=CC=C3O2)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCOCC6

InChI

InChI=1S/C29H30N4O4S2/c1-19-30-25(18-39-19)29(34)33(16-22-17-36-26-5-3-4-6-27(26)37-22)15-21-13-20-7-8-23(38-2)14-24(20)31-28(21)32-9-11-35-12-10-32/h3-8,13-14,18,22H,9-12,15-17H2,1-2H3