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

Systemtic Name: 4-azanyl-N5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N5-quinolin-3-yl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxo-ethyl]-N5-(3-quinolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxoethyl]-N5-(3-quinolinyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-quinolin-3-yl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(cyclohexylamino)-2-keto-ethyl]-N'-(3-quinolyl)isothiazole-3,5-dicarboxamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN(C2=CC3=CC=CC=C3N=C2)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CCC(CC1)NC(=O)CN(C2=CC3=CC=CC=C3N=C2)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C22H24N6O3S/c23-18-19(21(24)30)27-32-20(18)22(31)28(12-17(29)26-14-7-2-1-3-8-14)15-10-13-6-4-5-9-16(13)25-11-15/h4-6,9-11,14H,1-3,7-8,12,23H2,(H2,24,30)(H,26,29)