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

Systemtic Name: 3-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]propanoylamino]-4-methyl-benzoic acid Formula: C30H27N3O4S2 MolecularWeight: 557.68308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C30H27N3O4S2/c1-18-14-15-20(29(35)36)16-23(18)32-28(34)19(2)38-22-9-7-8-21(17-22)31-30(37)33-24-10-3-5-12-26(24)39-27-13-6-4-11-25(27)33/h3-17,19,24,26H,1-2H3,(H,31,37)(H,32,34)(H,35,36)