4-azanyl-N5-(2-methylphenyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-quinolin-6-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(2-methylphenyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-quinolin-6-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(o-tolyl)-N5-[2-oxo-1-(6-quinolyl)-2-(tetrahydrofuran-2-ylmethylamino)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-methylphenyl)-N5-[2-oxo-2-(2-oxolanylmethylamino)-1-(6-quinolinyl)ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(2-methylphenyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-quinolin-6-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-keto-1-(6-quinolyl)-2-(tetrahydrofurfurylamino)ethyl]-N'-(o-tolyl)isothiazole-3,5-dicarboxamide Formula: C28H28N6O4S MolecularWeight: 544.62472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(C2=CC3=C(C=C2)N=CC=C3)C(=O)NCC4CCCO4)C(=O)C5=C(C(=NS5)C(=O)N)N

Isomeric SMILES

CC1=CC=CC=C1N(C(C2=CC3=C(C=C2)N=CC=C3)C(=O)NCC4CCCO4)C(=O)C5=C(C(=NS5)C(=O)N)N

InChI

InChI=1S/C28H28N6O4S/c1-16-6-2-3-9-21(16)34(28(37)25-22(29)23(26(30)35)33-39-25)24(27(36)32-15-19-8-5-13-38-19)18-10-11-20-17(14-18)7-4-12-31-20/h2-4,6-7,9-12,14,19,24H,5,8,13,15,29H2,1H3,(H2,30,35)(H,32,36)