4-azanyl-N5-[2-(tert-butylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[2-(tert-butylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(tert-butylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(4-fluorophenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N5-(4-fluorophenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(tert-butylamino)-2-keto-1-(2-thienyl)ethyl]-N'-(4-fluorophenyl)isothiazole-3,5-dicarboxamide Formula: C21H22FN5O3S2 MolecularWeight: 475.559483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=CS1)N(C2=CC=C(C=C2)F)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC=CS1)N(C2=CC=C(C=C2)F)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C21H22FN5O3S2/c1-21(2,3)25-19(29)16(13-5-4-10-31-13)27(12-8-6-11(22)7-9-12)20(30)17-14(23)15(18(24)28)26-32-17/h4-10,16H,23H2,1-3H3,(H2,24,28)(H,25,29)