butyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: butyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: butyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: butyl-[2-[2-(methylthio)anilino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: butyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: butyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H26N4O2S/c1-3-4-13-26(15-21(27)24-18-11-7-8-12-19(18)29-2)14-20-23-17-10-6-5-9-16(17)22(28)25-20/h5-12H,3-4,13-15H2,1-2H3,(H,24,27)(H,23,25,28)/p+1