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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[1-(4-fluorophenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[1-(4-fluorophenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[1-(4-fluorophenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[1-(4-fluorophenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[1-(4-fluorophenyl)ethyl]piperazine-1-carbothioamide Formula: C23H26FN5O2S MolecularWeight: 455.548243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN5O2S/c1-15(16-4-6-17(24)7-5-16)27-23(32)29-10-8-28(9-11-29)22-18-12-20(30-2)21(31-3)13-19(18)25-14-26-22/h4-7,12-15H,8-11H2,1-3H3,(H,27,32)