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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[(4-methylsulfonylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-mesylbenzyl)piperazine-1-carbothioamide Formula: C23H27N5O4S2 MolecularWeight: 501.62158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)S(=O)(=O)C)OC

InChI

InChI=1S/C23H27N5O4S2/c1-31-20-12-18-19(13-21(20)32-2)25-15-26-22(18)27-8-10-28(11-9-27)23(33)24-14-16-4-6-17(7-5-16)34(3,29)30/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,33)