N-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)OC

InChI

InChI=1S/C23H27N5O4S/c1-29-16-9-15(10-17(11-16)30-2)26-23(33)28-7-5-27(6-8-28)22-18-12-20(31-3)21(32-4)13-19(18)24-14-25-22/h9-14H,5-8H2,1-4H3,(H,26,33)