4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-ethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-ethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-ethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3-ethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-ethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-ethylphenyl)piperazine-1-carbothioamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C23H27N5O2S/c1-4-16-6-5-7-17(12-16)26-23(31)28-10-8-27(9-11-28)22-18-13-20(29-2)21(30-3)14-19(18)24-15-25-22/h5-7,12-15H,4,8-11H2,1-3H3,(H,26,31)