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

Systemtic Name: methyl 2-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C31H29N3O4S2 MolecularWeight: 571.70966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C31H29N3O4S2/c1-3-26(29(35)33-23-14-5-4-13-22(23)30(36)38-2)39-21-12-10-11-20(19-21)32-31(37)34-24-15-6-8-17-27(24)40-28-18-9-7-16-25(28)34/h4-19,24,26-27H,3H2,1-2H3,(H,32,37)(H,33,35)