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

Systemtic Name: 3-[[4-oxidanylidene-2-phenylimino-3-(phenylmethyl)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[(3-benzyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid CAS Name: 3-[[oxo-[4-oxo-2-phenylimino-3-(phenylmethyl)-1,3-thiazinan-6-yl]methyl]amino]benzoic acid IUPAC Name: 3-[(3-benzyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid Traditional Name: 3-[(3-benzyl-4-keto-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid Formula: C25H21N3O4S MolecularWeight: 459.51694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H21N3O4S/c29-22-15-21(23(30)26-20-13-7-10-18(14-20)24(31)32)33-25(27-19-11-5-2-6-12-19)28(22)16-17-8-3-1-4-9-17/h1-14,21H,15-16H2,(H,26,30)(H,31,32)