4-azanyl-N5-[(2R)-1-(tert-butylamino)-1-oxidanylidene-butan-2-yl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(2R)-1-(tert-butylamino)-1-oxidanylidene-butan-2-yl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[(1R)-1-(tert-butylcarbamoyl)propyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2R)-1-(tert-butylamino)-1-oxobutan-2-yl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[(2R)-1-(tert-butylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N'-[(1R)-1-(tert-butylcarbamoyl)propyl]isothiazole-3,5-dicarboxamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C)(C)C)N(CC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CC[C@H](C(=O)NC(C)(C)C)N(CC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C20H27N5O3S/c1-5-13(18(27)23-20(2,3)4)25(11-12-9-7-6-8-10-12)19(28)16-14(21)15(17(22)26)24-29-16/h6-10,13H,5,11,21H2,1-4H3,(H2,22,26)(H,23,27)/t13-/m1/s1