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

Systemtic Name: 4-azanyl-N5-(2,4-dimethylphenyl)-N5-[1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(2,4-dimethylphenyl)-N5-[1-(isopentylcarbamoyl)propyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2,4-dimethylphenyl)-N5-[1-(3-methylbutylamino)-1-oxobutan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(2,4-dimethylphenyl)-5-N-[1-(3-methylbutylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(2,4-dimethylphenyl)-N'-[1-(isoamylcarbamoyl)propyl]isothiazole-3,5-dicarboxamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC(C)C)N(C1=C(C=C(C=C1)C)C)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCC(C(=O)NCCC(C)C)N(C1=C(C=C(C=C1)C)C)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C22H31N5O3S/c1-6-15(21(29)25-10-9-12(2)3)27(16-8-7-13(4)11-14(16)5)22(30)19-17(23)18(20(24)28)26-31-19/h7-8,11-12,15H,6,9-10,23H2,1-5H3,(H2,24,28)(H,25,29)