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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1-piperidylsulfonyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[4-(1-piperidinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidinosulfonylphenyl)piperazine-1-carbothioamide Formula: C26H32N6O4S2 MolecularWeight: 556.70008

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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)S(=O)(=O)N5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)OC

InChI

InChI=1S/C26H32N6O4S2/c1-35-23-16-21-22(17-24(23)36-2)27-18-28-25(21)30-12-14-31(15-13-30)26(37)29-19-6-8-20(9-7-19)38(33,34)32-10-4-3-5-11-32/h6-9,16-18H,3-5,10-15H2,1-2H3,(H,29,37)