3-[[ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C17H26N5OS+ MolecularWeight: 348.48624

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H25N5OS/c1-4-22(17(24)18-10-7-11-21(2)3)12-15-19-14-9-6-5-8-13(14)16(23)20-15/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,18,24)(H,19,20,23)/p+1