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

Systemtic Name: butyl 4-[[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C38H35N3O4S2 MolecularWeight: 661.8322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

InChI

InChI=1S/C38H35N3O4S2/c1-2-3-24-45-37(43)27-20-22-28(23-21-27)39-36(42)35(26-12-5-4-6-13-26)46-30-15-11-14-29(25-30)40-38(44)41-31-16-7-9-18-33(31)47-34-19-10-8-17-32(34)41/h4-23,25,31,33,35H,2-3,24H2,1H3,(H,39,42)(H,40,44)