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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-N-(4-hexoxyphenyl)-4-oxidanylidene-1,3-thiazinane-6-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-N-(4-hexoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-N-(4-hexoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-N-(4-hexoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide Traditional Name: 2-(4-fluorophenyl)imino-N-(4-hexoxyphenyl)-4-keto-3-piperonyl-1,3-thiazinane-6-carboxamide Formula: C31H32FN3O5S MolecularWeight: 577.666283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)F)S2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)F)S2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H32FN3O5S/c1-2-3-4-5-16-38-25-13-11-23(12-14-25)33-30(37)28-18-29(36)35(19-21-6-15-26-27(17-21)40-20-39-26)31(41-28)34-24-9-7-22(32)8-10-24/h6-15,17,28H,2-5,16,18-20H2,1H3,(H,33,37)