3-[[2-(4-chlorophenyl)imino-3-heptyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-(4-chlorophenyl)imino-3-heptyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(4-chlorophenyl)imino-3-heptyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C25H28ClN3O4S MolecularWeight: 502.02552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C25H28ClN3O4S/c1-2-3-4-5-6-14-29-22(30)16-21(34-25(29)28-19-12-10-18(26)11-13-19)23(31)27-20-9-7-8-17(15-20)24(32)33/h7-13,15,21H,2-6,14,16H2,1H3,(H,27,31)(H,32,33)