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

Systemtic Name: dimethyl-[2-[(2-methylphenyl)carbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[o-tolylcarbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[(2-methylanilino)-sulfanylidenemethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(2-methylphenyl)carbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl]azanium Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl-(o-tolylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC[NH+](C)C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC[NH+](C)C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H25N5OS/c1-15-8-4-6-10-17(15)23-21(28)26(13-12-25(2)3)14-19-22-18-11-7-5-9-16(18)20(27)24-19/h4-11H,12-14H2,1-3H3,(H,23,28)(H,22,24,27)/p+1