4-(6,7-dimethoxyquinazolin-4-yl)-N-phenacyl-piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenacyl-piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenacyl-piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-phenacyl-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenacylpiperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenacyl-piperazine-1-carbothioamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H25N5O3S/c1-30-20-12-17-18(13-21(20)31-2)25-15-26-22(17)27-8-10-28(11-9-27)23(32)24-14-19(29)16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,32)