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

Systemtic Name: 4-azanyl-N5-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl]-N5-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(1,1-dimethylpropylamino)-2-oxo-1-(6-quinolyl)ethyl]-N5-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N5-(3-pyridinylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(tert-amylamino)-2-keto-1-(6-quinolyl)ethyl]-N'-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide Formula: C27H29N7O3S MolecularWeight: 531.62926

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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(CC3=CN=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CCC(C)(C)NC(=O)C(C1=CC2=C(C=C1)N=CC=C2)N(CC3=CN=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C27H29N7O3S/c1-4-27(2,3)32-25(36)22(18-9-10-19-17(13-18)8-6-12-31-19)34(15-16-7-5-11-30-14-16)26(37)23-20(28)21(24(29)35)33-38-23/h5-14,22H,4,15,28H2,1-3H3,(H2,29,35)(H,32,36)