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

Systemtic Name: 4-azanyl-N5-[(1S)-2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxidanylidene-ethyl]-N5-cyclopentyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-2-(tert-butylamino)-1-(5-methyl-2-furyl)-2-oxo-ethyl]-N5-cyclopentyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(1S)-2-(tert-butylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]-N5-cyclopentylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(1S)-2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-N-cyclopentyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(tert-butylamino)-2-keto-1-(5-methyl-2-furyl)ethyl]-N'-cyclopentyl-isothiazole-3,5-dicarboxamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C(=O)NC(C)(C)C)N(C2CCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CC1=CC=C(O1)[C@@H](C(=O)NC(C)(C)C)N(C2CCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C21H29N5O4S/c1-11-9-10-13(30-11)16(19(28)24-21(2,3)4)26(12-7-5-6-8-12)20(29)17-14(22)15(18(23)27)25-31-17/h9-10,12,16H,5-8,22H2,1-4H3,(H2,23,27)(H,24,28)/t16-/m0/s1