3-[2-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C25H30N5O2S2+ MolecularWeight: 496.668

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C25H29N5O2S2/c1-3-29(4-2)15-9-16-30-24(32)19-10-5-6-11-20(19)28-25(30)34-18-23(31)27-21-12-7-8-13-22(21)33-17-14-26/h5-8,10-13H,3-4,9,15-18H2,1-2H3,(H,27,31)/p+1