4-azanyl-N5-cyclopentyl-N5-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-cyclopentyl-N5-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-cyclopentyl-N5-[(1S)-2-(1,1-dimethylpropylamino)-2-oxo-1-(6-quinolyl)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-cyclopentyl-N5-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxo-1-(6-quinolinyl)ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-cyclopentyl-5-N-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxo-1-quinolin-6-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(tert-amylamino)-2-keto-1-(6-quinolyl)ethyl]-N'-cyclopentyl-isothiazole-3,5-dicarboxamide Formula: C26H32N6O3S MolecularWeight: 508.63568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C1=CC2=C(C=C1)N=CC=C2)N(C3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CCC(C)(C)NC(=O)[C@H](C1=CC2=C(C=C1)N=CC=C2)N(C3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C26H32N6O3S/c1-4-26(2,3)30-24(34)21(16-11-12-18-15(14-16)8-7-13-29-18)32(17-9-5-6-10-17)25(35)22-19(27)20(23(28)33)31-36-22/h7-8,11-14,17,21H,4-6,9-10,27H2,1-3H3,(H2,28,33)(H,30,34)/t21-/m0/s1