4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2S/c1-16-4-6-17(7-5-16)14-24-23(31)28-10-8-27(9-11-28)22-18-12-20(29-2)21(30-3)13-19(18)25-15-26-22/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,31)