4-azanyl-N5-[(1S)-1-(4-dimethylaminophenyl)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(1S)-1-(4-dimethylaminophenyl)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-1-(4-dimethylaminophenyl)-2-(1,1-dimethylpropylamino)-2-oxo-ethyl]-N5-phenyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(1S)-1-(4-dimethylaminophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N5-phenylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(1S)-1-(4-dimethylaminophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(tert-amylamino)-1-(4-dimethylaminophenyl)-2-keto-ethyl]-N'-phenyl-isothiazole-3,5-dicarboxamide Formula: C26H32N6O3S MolecularWeight: 508.63568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C1=CC=C(C=C1)N(C)C)N(C2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)N(C)C)N(C2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

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