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

Systemtic Name: 3-[[4-oxidanylidene-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[oxo-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinan-6-yl]methyl]amino]benzoic acid IUPAC Name: 3-[[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[4-keto-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CCCC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CCCC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H25N3O4S/c31-24-18-23(25(32)28-22-15-7-12-20(17-22)26(33)34)35-27(29-21-13-5-2-6-14-21)30(24)16-8-11-19-9-3-1-4-10-19/h1-7,9-10,12-15,17,23H,8,11,16,18H2,(H,28,32)(H,33,34)