4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(4-phenylmethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N5O3S/c1-34-25-16-23-24(17-26(25)35-2)29-19-30-27(23)32-12-14-33(15-13-32)28(37)31-21-8-10-22(11-9-21)36-18-20-6-4-3-5-7-20/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,31,37)