ethyl 4-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C32H31N3O4S2 MolecularWeight: 585.73624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C32H31N3O4S2/c1-3-27(30(36)33-22-18-16-21(17-19-22)31(37)39-4-2)40-24-11-9-10-23(20-24)34-32(38)35-25-12-5-7-14-28(25)41-29-15-8-6-13-26(29)35/h5-20,25,27-28H,3-4H2,1-2H3,(H,33,36)(H,34,38)