N-(6-bromanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)-2-[2-[(E)-(4-dimethylaminophenyl)methylidenecarbamothioyl]hydrazinyl]ethanamide

Systemtic Name: N-(6-bromanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)-2-[2-[(E)-(4-dimethylaminophenyl)methylidenecarbamothioyl]hydrazinyl]ethanamide Openeye Name: N-(6-bromo-2-methyl-4-oxo-quinazolin-3-yl)-2-[2-[(E)-(4-dimethylaminophenyl)methylenecarbamothioyl]hydrazino]acetamide CAS Name: N-(6-bromo-2-methyl-4-oxo-3-quinazolinyl)-2-[[[(E)-(4-dimethylaminophenyl)methylideneamino]-sulfanylidenemethyl]hydrazo]acetamide IUPAC Name: N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-2-[2-[(E)-(4-dimethylaminophenyl)methylidenecarbamothioyl]hydrazinyl]acetamide Traditional Name: N-(6-bromo-4-keto-2-methyl-quinazolin-3-yl)-2-[N'-[(E)-[4-(dimethylamino)benzylidene]thiocarbamoyl]hydrazino]acetamide Formula: C21H22BrN7O2S MolecularWeight: 516.41408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=O)N1NC(=O)CNNC(=S)N=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=O)N1NC(=O)CNNC(=S)/N=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H22BrN7O2S/c1-13-25-18-9-6-15(22)10-17(18)20(31)29(13)27-19(30)12-24-26-21(32)23-11-14-4-7-16(8-5-14)28(2)3/h4-11,24H,12H2,1-3H3,(H,26,32)(H,27,30)/b23-11+