2-[2-[(4-fluorophenyl)methyl-pentyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[2-[(4-fluorophenyl)methyl-pentyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-[(4-fluorophenyl)methyl-pentyl-amino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-[amyl-(4-fluorobenzyl)amino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H28FN3O3S MolecularWeight: 421.528723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=C(C=C1)F)C(=O)CSC(C)C(=O)NC2=NOC(=C2)C

Isomeric SMILES

CCCCCN(CC1=CC=C(C=C1)F)C(=O)CSC(C)C(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C21H28FN3O3S/c1-4-5-6-11-25(13-17-7-9-18(22)10-8-17)20(26)14-29-16(3)21(27)23-19-12-15(2)28-24-19/h7-10,12,16H,4-6,11,13-14H2,1-3H3,(H,23,24,27)