4-azanyl-N5-(furan-2-ylmethyl)-N5-[(2R)-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(furan-2-ylmethyl)-N5-[(2R)-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(2-furylmethyl)-N5-[(1R)-1-(isopentylcarbamoyl)propyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-furanylmethyl)-N5-[(2R)-1-(3-methylbutylamino)-1-oxobutan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(2R)-1-(3-methylbutylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(2-furfuryl)-N'-[(1R)-1-(isoamylcarbamoyl)propyl]isothiazole-3,5-dicarboxamide Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC(C)C)N(CC1=CC=CO1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CC[C@H](C(=O)NCCC(C)C)N(CC1=CC=CO1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C19H27N5O4S/c1-4-13(18(26)22-8-7-11(2)3)24(10-12-6-5-9-28-12)19(27)16-14(20)15(17(21)25)23-29-16/h5-6,9,11,13H,4,7-8,10,20H2,1-3H3,(H2,21,25)(H,22,26)/t13-/m1/s1