4-(6,7-dimethoxyquinazolin-4-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[(3-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-fluorobenzyl)piperazine-1-carbothioamide Formula: C22H24FN5O2S MolecularWeight: 441.521663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC(=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC(=CC=C4)F)OC

InChI

InChI=1S/C22H24FN5O2S/c1-29-19-11-17-18(12-20(19)30-2)25-14-26-21(17)27-6-8-28(9-7-27)22(31)24-13-15-4-3-5-16(23)10-15/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,24,31)