4-azanyl-N5-[(4-fluorophenyl)methyl]-N5-[(1S)-1-(5-methylfuran-2-yl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(4-fluorophenyl)methyl]-N5-[(1S)-1-(5-methylfuran-2-yl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-2-(benzylamino)-1-(5-methyl-2-furyl)-2-oxo-ethyl]-N5-[(4-fluorophenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(4-fluorophenyl)methyl]-N5-[(1S)-1-(5-methyl-2-furanyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(1S)-2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(benzylamino)-2-keto-1-(5-methyl-2-furyl)ethyl]-N'-(4-fluorobenzyl)isothiazole-3,5-dicarboxamide Formula: C26H24FN5O4S MolecularWeight: 521.563263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C(=O)NCC2=CC=CC=C2)N(CC3=CC=C(C=C3)F)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CC1=CC=C(O1)[C@@H](C(=O)NCC2=CC=CC=C2)N(CC3=CC=C(C=C3)F)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C26H24FN5O4S/c1-15-7-12-19(36-15)22(25(34)30-13-16-5-3-2-4-6-16)32(14-17-8-10-18(27)11-9-17)26(35)23-20(28)21(24(29)33)31-37-23/h2-12,22H,13-14,28H2,1H3,(H2,29,33)(H,30,34)/t22-/m0/s1