1-(6,7-dimethoxyquinazolin-4-yl)oxy-1-phenyl-3-piperidin-1-yl-thiourea

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)oxy-1-phenyl-3-piperidin-1-yl-thiourea Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)oxy-1-phenyl-3-(1-piperidyl)thiourea CAS Name: 1-[(6,7-dimethoxy-4-quinazolinyl)oxy]-1-phenyl-3-(1-piperidinyl)thiourea IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)oxy-1-phenyl-3-piperidin-1-ylthiourea Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)oxy-1-phenyl-3-piperidino-thiourea Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)ON(C3=CC=CC=C3)C(=S)NN4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)ON(C3=CC=CC=C3)C(=S)NN4CCCCC4)OC

InChI

InChI=1S/C22H25N5O3S/c1-28-19-13-17-18(14-20(19)29-2)23-15-24-21(17)30-27(16-9-5-3-6-10-16)22(31)25-26-11-7-4-8-12-26/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3,(H,25,31)