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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-hexoxyphenyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinane-6-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-hexoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-hexoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-hexoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide Traditional Name: N-(4-hexoxyphenyl)-4-keto-2-phenylimino-3-piperonyl-1,3-thiazinane-6-carboxamide Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O5S/c1-2-3-4-8-17-37-25-14-12-24(13-15-25)32-30(36)28-19-29(35)34(31(40-28)33-23-9-6-5-7-10-23)20-22-11-16-26-27(18-22)39-21-38-26/h5-7,9-16,18,28H,2-4,8,17,19-21H2,1H3,(H,32,36)