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

Systemtic Name: 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-(phenylmethyl)piperidin-1-ium-1-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-1-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiourea CAS Name: 1-[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]-3-[1-(phenylmethyl)-1-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-1-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-1-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiourea Formula: C29H32N5O3S+ MolecularWeight: 530.66108

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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)N[N+]4(CCCCC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)N[N+]4(CCCCC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C29H31N5O3S/c1-35-26-17-24-25(18-27(26)36-2)30-20-31-28(24)37-23-13-11-22(12-14-23)32-29(38)33-34(15-7-4-8-16-34)19-21-9-5-3-6-10-21/h3,5-6,9-14,17-18,20H,4,7-8,15-16,19H2,1-2H3,(H-,32,33,38)/p+1