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

Systemtic Name: dimethyl-[2-[(3-methylphenyl)carbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[m-tolylcarbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[(3-methylanilino)-sulfanylidenemethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-methylphenyl)carbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl]azanium Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl-(m-tolylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N5OS+ MolecularWeight: 396.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

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