3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-4-oxidanylidene-N-phenethyl-1,3-thiazinane-6-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-4-oxidanylidene-N-phenethyl-1,3-thiazinane-6-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-4-oxo-N-phenethyl-1,3-thiazinane-6-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-4-oxo-N-phenethyl-1,3-thiazinane-6-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-4-oxo-N-phenethyl-1,3-thiazinane-6-carboxamide Traditional Name: 2-(4-fluorophenyl)imino-4-keto-N-phenethyl-3-piperonyl-1,3-thiazinane-6-carboxamide Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H24FN3O4S/c28-20-7-9-21(10-8-20)30-27-31(16-19-6-11-22-23(14-19)35-17-34-22)25(32)15-24(36-27)26(33)29-13-12-18-4-2-1-3-5-18/h1-11,14,24H,12-13,15-17H2,(H,29,33)