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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C32H31N3O4S2/c1-2-3-19-39-31(37)22-15-17-23(18-16-22)33-30(36)21-40-25-10-8-9-24(20-25)34-32(38)35-26-11-4-6-13-28(26)41-29-14-7-5-12-27(29)35/h4-18,20,26,28H,2-3,19,21H2,1H3,(H,33,36)(H,34,38)