4-(2-phenothiazin-10-ylethanoylamino)benzoic acid

Systemtic Name: 4-(2-phenothiazin-10-ylethanoylamino)benzoic acid Openeye Name: 4-[(2-phenothiazin-10-ylacetyl)amino]benzoic acid CAS Name: 4-[[1-oxo-2-(10-phenothiazinyl)ethyl]amino]benzoic acid IUPAC Name: 4-[(2-phenothiazin-10-ylacetyl)amino]benzoic acid Traditional Name: 4-[(2-phenothiazin-10-ylacetyl)amino]benzoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N2O3S/c24-20(22-15-11-9-14(10-12-15)21(25)26)13-23-16-5-1-3-7-18(16)27-19-8-4-2-6-17(19)23/h1-12H,13H2,(H,22,24)(H,25,26)