4-azanyl-N5-(2-fluorophenyl)-N5-[1-(3-methylbutylamino)-1-oxidanylidene-hexan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(2-fluorophenyl)-N5-[1-(3-methylbutylamino)-1-oxidanylidene-hexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(2-fluorophenyl)-N5-[1-(isopentylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-fluorophenyl)-N5-[1-(3-methylbutylamino)-1-oxohexan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(2-fluorophenyl)-5-N-[1-(3-methylbutylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(2-fluorophenyl)-N'-[1-(isoamylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide Formula: C22H30FN5O3S MolecularWeight: 463.568703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCC(C)C)N(C1=CC=CC=C1F)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCCCC(C(=O)NCCC(C)C)N(C1=CC=CC=C1F)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C22H30FN5O3S/c1-4-5-9-16(21(30)26-12-11-13(2)3)28(15-10-7-6-8-14(15)23)22(31)19-17(24)18(20(25)29)27-32-19/h6-8,10,13,16H,4-5,9,11-12,24H2,1-3H3,(H2,25,29)(H,26,30)