4-(6,7-dimethoxyquinazolin-4-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-m-anisyl-piperazine-1-carbothioamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C23H27N5O3S/c1-29-17-6-4-5-16(11-17)14-24-23(32)28-9-7-27(8-10-28)22-18-12-20(30-2)21(31-3)13-19(18)25-15-26-22/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,24,32)