3-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C28H23N3O4S2 MolecularWeight: 529.62992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3C=CC=CC3S2)C(=O)NC4=CC(=CC=C4)SCC(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3C=CC=CC3S2)C(=O)NC4=CC(=CC=C4)SCC(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C28H23N3O4S2/c32-26(29-19-8-5-7-18(15-19)27(33)34)17-36-21-10-6-9-20(16-21)30-28(35)31-22-11-1-3-13-24(22)37-25-14-4-2-12-23(25)31/h1-16,22,24H,17H2,(H,29,32)(H,30,35)(H,33,34)