4-azanyl-N5-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-N5-phenethyl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-N5-phenethyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-N5-phenethyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N5-phenethylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-N-phenethyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-N'-phenethyl-isothiazole-3,5-dicarboxamide Formula: C22H22FN5O3S MolecularWeight: 455.505183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C22H22FN5O3S/c23-16-8-6-15(7-9-16)12-26-17(29)13-28(11-10-14-4-2-1-3-5-14)22(31)20-18(24)19(21(25)30)27-32-20/h1-9H,10-13,24H2,(H2,25,30)(H,26,29)