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

Systemtic Name: 4-azanyl-N5-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(tert-amylamino)-2-keto-ethyl]-N'-benzyl-isothiazole-3,5-dicarboxamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3S/c1-4-19(2,3)22-13(25)11-24(10-12-8-6-5-7-9-12)18(27)16-14(20)15(17(21)26)23-28-16/h5-9H,4,10-11,20H2,1-3H3,(H2,21,26)(H,22,25)