5-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylpropanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylpropanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]propanoylamino]-2-chloro-benzoic acid Formula: C29H24ClN3O4S2 MolecularWeight: 578.10156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C29H24ClN3O4S2/c1-17(27(34)31-19-13-14-22(30)21(16-19)28(35)36)38-20-8-6-7-18(15-20)32-29(37)33-23-9-2-4-11-25(23)39-26-12-5-3-10-24(26)33/h2-17,23,25H,1H3,(H,31,34)(H,32,37)(H,35,36)