N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioyl-4-nitro-benzamide

Systemtic Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioyl-4-nitro-benzamide Openeye Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]-4-nitro-benzamide CAS Name: N-[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]-4-nitrobenzamide Traditional Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]-4-nitro-benzamide Formula: C22H22N6O5S MolecularWeight: 482.51228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O5S/c1-32-18-11-16-17(12-19(18)33-2)23-13-24-20(16)26-7-9-27(10-8-26)22(34)25-21(29)14-3-5-15(6-4-14)28(30)31/h3-6,11-13H,7-10H2,1-2H3,(H,25,29,34)