[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] N-phenylmorpholine-4-carboximidothioate CAS Name: N-phenyl-4-morpholinecarboximidothioic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] N-phenylmorpholine-4-carboximidothioate Traditional Name: N-phenylmorpholine-4-carboximidothioic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22FN3O2S MolecularWeight: 387.470983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3)F

InChI

InChI=1S/C20H22FN3O2S/c1-15-7-8-17(13-18(15)21)22-19(25)14-27-20(24-9-11-26-12-10-24)23-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,25)