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

Systemtic Name: 4-[(3-heptyl-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl)carbonylamino]benzoic acid Openeye Name: 4-[(3-heptyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid CAS Name: 4-[[(3-heptyl-4-oxo-2-phenylimino-1,3-thiazinan-6-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(3-heptyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid Traditional Name: 4-[(3-heptyl-4-keto-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-2-3-4-5-9-16-28-22(29)17-21(33-25(28)27-19-10-7-6-8-11-19)23(30)26-20-14-12-18(13-15-20)24(31)32/h6-8,10-15,21H,2-5,9,16-17H2,1H3,(H,26,30)(H,31,32)