dimethyl-[3-[4-oxidanylidene-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-quinazolin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[4-oxidanylidene-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: dimethyl-[3-[4-oxo-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-quinazolin-3-yl]propyl]ammonium CAS Name: dimethyl-[3-[4-oxo-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[4-oxo-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-3-yl]propyl]azanium Traditional Name: 3-[4-keto-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C27H27N4O2S2+ MolecularWeight: 503.65888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H26N4O2S2/c1-29(2)16-9-17-30-26(33)19-10-3-4-11-20(19)28-27(30)34-18-25(32)31-21-12-5-7-14-23(21)35-24-15-8-6-13-22(24)31/h3-8,10-15H,9,16-18H2,1-2H3/p+1