4-(6,7-diethoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-diethoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-diethoxyquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-diethoxy-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-diethoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-diethoxyquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OCC

InChI

InChI=1S/C23H28N6O2S/c1-3-30-20-12-18-19(13-21(20)31-4-2)26-16-27-22(18)28-8-10-29(11-9-28)23(32)25-15-17-6-5-7-24-14-17/h5-7,12-14,16H,3-4,8-11,15H2,1-2H3,(H,25,32)