4-azanyl-N3-cyclohexyl-N5-(4-fluorophenyl)-N5-[4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N3-cyclohexyl-N5-(4-fluorophenyl)-N5-[4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-cyclohexyl-N5-(4-fluorophenyl)-N5-[1-(isopentylcarbamoyl)-3-methyl-butyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-cyclohexyl-N5-(4-fluorophenyl)-N5-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-cyclohexyl-N'-(4-fluorophenyl)-N'-[1-(isoamylcarbamoyl)-3-methyl-butyl]isothiazole-3,5-dicarboxamide Formula: C28H40FN5O3S MolecularWeight: 545.712303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC(C)C)N(C1=CC=C(C=C1)F)C(=O)C2=C(C(=NS2)C(=O)NC3CCCCC3)N

Isomeric SMILES

CC(C)CCNC(=O)C(CC(C)C)N(C1=CC=C(C=C1)F)C(=O)C2=C(C(=NS2)C(=O)NC3CCCCC3)N

InChI

InChI=1S/C28H40FN5O3S/c1-17(2)14-15-31-26(35)22(16-18(3)4)34(21-12-10-19(29)11-13-21)28(37)25-23(30)24(33-38-25)27(36)32-20-8-6-5-7-9-20/h10-13,17-18,20,22H,5-9,14-16,30H2,1-4H3,(H,31,35)(H,32,36)