N-(4-chloranyl-3-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-3-nitrophenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C21H21ClN6O4S MolecularWeight: 488.94724

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN6O4S/c1-31-18-10-14-16(11-19(18)32-2)23-12-24-20(14)26-5-7-27(8-6-26)21(33)25-13-3-4-15(22)17(9-13)28(29)30/h3-4,9-12H,5-8H2,1-2H3,(H,25,33)