methyl-[3-[[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoyl]amino]propyl]ammonium CAS Name: methyl-[3-[[oxo-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]amino]propyl]azanium Traditional Name: benzyl-[3-[[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]amino]propyl]-methyl-ammonium Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-29(18-19-8-3-2-4-9-19)17-7-16-27-24(31)20-12-14-21(15-13-20)30-25(32)22-10-5-6-11-23(22)28-26(30)33/h2-6,8-15H,7,16-18H2,1H3,(H,27,31)(H,28,33)/p+1