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

Systemtic Name: dimethyl-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(phenylmethyl)carbamothioyl]amino]ethyl]azanium Openeye Name: 2-[benzylcarbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[(4-oxo-1H-quinazolin-2-yl)methyl-[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: 2-[benzylcarbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzylthiocarbamoyl-[(4-keto-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-25(2)12-13-26(21(28)22-14-16-8-4-3-5-9-16)15-19-23-18-11-7-6-10-17(18)20(27)24-19/h3-11H,12-15H2,1-2H3,(H,22,28)(H,23,24,27)/p+1