4-azanyl-N5-(3,5-dimethylphenyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(3,5-dimethylphenyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(3,5-dimethylphenyl)-N5-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(3,5-dimethylphenyl)-N5-[2-oxo-2-(2-oxolanylmethylamino)ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(3,5-dimethylphenyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(3,5-dimethylphenyl)-N'-[2-keto-2-(tetrahydrofurfurylamino)ethyl]isothiazole-3,5-dicarboxamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC(=O)NCC2CCCO2)C(=O)C3=C(C(=NS3)C(=O)N)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)NCC2CCCO2)C(=O)C3=C(C(=NS3)C(=O)N)N)C

InChI

InChI=1S/C20H25N5O4S/c1-11-6-12(2)8-13(7-11)25(10-15(26)23-9-14-4-3-5-29-14)20(28)18-16(21)17(19(22)27)24-30-18/h6-8,14H,3-5,9-10,21H2,1-2H3,(H2,22,27)(H,23,26)