4-azanyl-N3-cyclohexyl-N5-[1-(4-fluorophenyl)-2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N3-cyclohexyl-N5-[1-(4-fluorophenyl)-2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N3-cyclohexyl-N5-[1-(4-fluorophenyl)-2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-cyclohexyl-N5-[1-(4-fluorophenyl)-2-oxo-2-(2-oxolanylmethylamino)ethyl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-3-N-cyclohexyl-5-N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N-cyclohexyl-N'-[1-(4-fluorophenyl)-2-keto-2-(tetrahydrofurfurylamino)ethyl]isothiazole-3,5-dicarboxamide Formula: C31H36FN5O4S MolecularWeight: 593.712043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(CC3=CC=CC=C3)C(C4=CC=C(C=C4)F)C(=O)NCC5CCCO5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(CC3=CC=CC=C3)C(C4=CC=C(C=C4)F)C(=O)NCC5CCCO5

InChI

InChI=1S/C31H36FN5O4S/c32-22-15-13-21(14-16-22)27(30(39)34-18-24-12-7-17-41-24)37(19-20-8-3-1-4-9-20)31(40)28-25(33)26(36-42-28)29(38)35-23-10-5-2-6-11-23/h1,3-4,8-9,13-16,23-24,27H,2,5-7,10-12,17-19,33H2,(H,34,39)(H,35,38)