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

Systemtic Name: 5-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylethanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylacetyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylacetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]acetyl]amino]-2-chloro-benzoic acid Formula: C28H22ClN3O4S2 MolecularWeight: 564.07498

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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(=C(C=C5)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClN3O4S2/c29-21-13-12-18(15-20(21)27(34)35)30-26(33)16-37-19-7-5-6-17(14-19)31-28(36)32-22-8-1-3-10-24(22)38-25-11-4-2-9-23(25)32/h1-15,22,24H,16H2,(H,30,33)(H,31,36)(H,34,35)