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

Systemtic Name: 4-azanyl-N5-[2-(cyclopentylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(2-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(2-fluorophenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N5-(2-fluorophenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(2-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(cyclopentylamino)-2-keto-1-(2-thienyl)ethyl]-N'-(2-fluorophenyl)isothiazole-3,5-dicarboxamide Formula: C22H22FN5O3S2 MolecularWeight: 487.570183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CC=CS2)N(C3=CC=CC=C3F)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CCC(C1)NC(=O)C(C2=CC=CS2)N(C3=CC=CC=C3F)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C22H22FN5O3S2/c23-13-8-3-4-9-14(13)28(22(31)19-16(24)17(20(25)29)27-33-19)18(15-10-5-11-32-15)21(30)26-12-6-1-2-7-12/h3-5,8-12,18H,1-2,6-7,24H2,(H2,25,29)(H,26,30)