4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[(4-keto-2-phenylimino-3-piperonyl-1,3-thiazinane-6-carbonyl)amino]benzoic acid Formula: C26H21N3O6S MolecularWeight: 503.52644

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H21N3O6S/c30-23-13-22(24(31)27-19-9-7-17(8-10-19)25(32)33)36-26(28-18-4-2-1-3-5-18)29(23)14-16-6-11-20-21(12-16)35-15-34-20/h1-12,22H,13-15H2,(H,27,31)(H,32,33)