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

Systemtic Name: 4-azanyl-N5-[2-(cyclohexylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl]-N5-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxo-1-(6-quinolyl)ethyl]-N5-(o-tolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N5-(2-methylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(cyclohexylamino)-2-keto-1-(6-quinolyl)ethyl]-N'-(o-tolyl)isothiazole-3,5-dicarboxamide Formula: C29H30N6O3S MolecularWeight: 542.6519

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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)NC4CCCCC4)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)NC4CCCCC4)C(=O)C5=C(C(=NS5)C(=O)N)N

InChI

InChI=1S/C29H30N6O3S/c1-17-8-5-6-12-22(17)35(29(38)26-23(30)24(27(31)36)34-39-26)25(28(37)33-20-10-3-2-4-11-20)19-13-14-21-18(16-19)9-7-15-32-21/h5-9,12-16,20,25H,2-4,10-11,30H2,1H3,(H2,31,36)(H,33,37)