4-azanyl-N5-cyclohexyl-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-cyclohexyl-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-cyclohexyl-N5-[(1S)-2-(1,1-dimethylpropylamino)-2-oxo-1-(6-quinolyl)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-cyclohexyl-N5-[(1S)-2-(2-methylbutan-2-ylamino)-2-oxo-1-(6-quinolinyl)ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-cyclohexyl-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'-cyclohexyl-isothiazole-3,5-dicarboxamide Formula: C27H34N6O3S MolecularWeight: 522.66226

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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(C3CCCCC3)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(C3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C27H34N6O3S/c1-4-27(2,3)31-25(35)22(17-12-13-19-16(15-17)9-8-14-30-19)33(18-10-6-5-7-11-18)26(36)23-20(28)21(24(29)34)32-37-23/h8-9,12-15,18,22H,4-7,10-11,28H2,1-3H3,(H2,29,34)(H,31,35)/t22-/m0/s1