butyl 4-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C33H33N3O4S2 MolecularWeight: 599.76282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H33N3O4S2/c1-3-4-20-40-32(38)23-16-18-24(19-17-23)34-31(37)22(2)41-26-11-9-10-25(21-26)35-33(39)36-27-12-5-7-14-29(27)42-30-15-8-6-13-28(30)36/h5-19,21-22,27,29H,3-4,20H2,1-2H3,(H,34,37)(H,35,39)