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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-nitrophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-nitrophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[(4-nitrophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-nitrophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-nitrobenzyl)piperazine-1-carbothioamide Formula: C22H24N6O4S MolecularWeight: 468.52876

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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)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N6O4S/c1-31-19-11-17-18(12-20(19)32-2)24-14-25-21(17)26-7-9-27(10-8-26)22(33)23-13-15-3-5-16(6-4-15)28(29)30/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,33)