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

Systemtic Name: 3-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylbutanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylbutanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylbutanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]butanoylamino]-4-chloro-benzoic acid Formula: C30H26ClN3O4S2 MolecularWeight: 592.12814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C30H26ClN3O4S2/c1-2-25(28(35)33-22-16-18(29(36)37)14-15-21(22)31)39-20-9-7-8-19(17-20)32-30(38)34-23-10-3-5-12-26(23)40-27-13-6-4-11-24(27)34/h3-17,23,25-26H,2H2,1H3,(H,32,38)(H,33,35)(H,36,37)