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

Systemtic Name: 2-[(3-methoxyphenyl)carbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-methoxyphenyl)carbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-methoxyanilino)-sulfanylidenemethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-methoxyphenyl)carbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl-[(3-methoxyphenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N5O2S/c1-25(2)11-12-26(21(29)22-15-7-6-8-16(13-15)28-3)14-19-23-18-10-5-4-9-17(18)20(27)24-19/h4-10,13H,11-12,14H2,1-3H3,(H,22,29)(H,23,24,27)/p+1