3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxidanylidene-N-phenethyl-1,3-thiazinane-6-carboxamide

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxidanylidene-N-phenethyl-1,3-thiazinane-6-carboxamide Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxo-N-phenethyl-1,3-thiazinane-6-carboxamide CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxo-N-phenethyl-1,3-thiazinane-6-carboxamide IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxo-N-phenethyl-1,3-thiazinane-6-carboxamide Traditional Name: 2-(4-fluorophenyl)imino-4-keto-N-phenethyl-3-veratryl-1,3-thiazinane-6-carboxamide Formula: C28H28FN3O4S MolecularWeight: 521.603023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)CC(SC2=NC3=CC=C(C=C3)F)C(=O)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)CC(SC2=NC3=CC=C(C=C3)F)C(=O)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H28FN3O4S/c1-35-23-13-8-20(16-24(23)36-2)18-32-26(33)17-25(27(34)30-15-14-19-6-4-3-5-7-19)37-28(32)31-22-11-9-21(29)10-12-22/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,30,34)