4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N6O4S/c1-30-18-11-16-17(12-19(18)31-2)22-13-23-20(16)25-6-8-26(9-7-25)21(32)24-14-4-3-5-15(10-14)27(28)29/h3-5,10-13H,6-9H2,1-2H3,(H,24,32)