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

Systemtic Name: 3-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylethanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylacetyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylacetyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]acetyl]amino]-4-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=C(C=CC(=C5)C(=O)O)Cl

Isomeric SMILES

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

InChI

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