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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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