1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-piperidin-1-yl-thiourea

Systemtic Name: 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-piperidin-1-yl-thiourea Openeye Name: 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1-piperidyl)thiourea CAS Name: 1-[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]-3-(1-piperidinyl)thiourea IUPAC Name: 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-piperidin-1-ylthiourea Traditional Name: 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-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)OC3=CC=C(C=C3)NC(=S)NN4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NN4CCCCC4)OC

InChI

InChI=1S/C22H25N5O3S/c1-28-19-12-17-18(13-20(19)29-2)23-14-24-21(17)30-16-8-6-15(7-9-16)25-22(31)26-27-10-4-3-5-11-27/h6-9,12-14H,3-5,10-11H2,1-2H3,(H2,25,26,31)