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

Systemtic Name: 4-azanyl-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-thiophen-2-yl-ethyl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-oxo-2-(2-oxolanylmethylamino)-1-thiophen-2-ylethyl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N'-[2-keto-2-(tetrahydrofurfurylamino)-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(C2=CC=CS2)N(CC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CC(OC1)CNC(=O)C(C2=CC=CS2)N(CC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C23H25N5O4S2/c24-17-18(21(25)29)27-34-20(17)23(31)28(13-14-6-2-1-3-7-14)19(16-9-5-11-33-16)22(30)26-12-15-8-4-10-32-15/h1-3,5-7,9,11,15,19H,4,8,10,12-13,24H2,(H2,25,29)(H,26,30)