N-(4-bromanyl-3-methyl-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)Br

InChI

InChI=1S/C22H24BrN5O2S/c1-14-10-15(4-5-17(14)23)26-22(31)28-8-6-27(7-9-28)21-16-11-19(29-2)20(30-3)12-18(16)24-13-25-21/h4-5,10-13H,6-9H2,1-3H3,(H,26,31)