4-azanyl-N5-[(2S)-1-(tert-butylamino)-1-oxidanylidene-hexan-2-yl]-N5-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(2S)-1-(tert-butylamino)-1-oxidanylidene-hexan-2-yl]-N5-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-1-(tert-butylcarbamoyl)pentyl]-N5-(p-tolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2S)-1-(tert-butylamino)-1-oxohexan-2-yl]-N5-(4-methylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(2S)-1-(tert-butylamino)-1-oxohexan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-1-(tert-butylcarbamoyl)pentyl]-N'-(p-tolyl)isothiazole-3,5-dicarboxamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C)(C)C)N(C1=CC=C(C=C1)C)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCCC[C@@H](C(=O)NC(C)(C)C)N(C1=CC=C(C=C1)C)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C22H31N5O3S/c1-6-7-8-15(20(29)25-22(3,4)5)27(14-11-9-13(2)10-12-14)21(30)18-16(23)17(19(24)28)26-31-18/h9-12,15H,6-8,23H2,1-5H3,(H2,24,28)(H,25,29)/t15-/m0/s1