1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-4-(4-nitrophenyl)piperazine-2-carbothioamide

Systemtic Name: 1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-4-(4-nitrophenyl)piperazine-2-carbothioamide Openeye Name: 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-(4-nitrophenyl)piperazine-2-carbothioamide CAS Name: 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(4-nitrophenyl)-2-piperazinecarbothioamide IUPAC Name: 1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(4-nitrophenyl)piperazine-2-carbothioamide Traditional Name: 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-(4-nitrophenyl)piperazine-2-carbothioamide Formula: C21H23N7O4S MolecularWeight: 469.51682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-])N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-])N)OC

InChI

InChI=1S/C21H23N7O4S/c1-31-17-9-14-15(10-18(17)32-2)24-21(25-19(14)22)27-8-7-26(11-16(27)20(23)33)12-3-5-13(6-4-12)28(29)30/h3-6,9-10,16H,7-8,11H2,1-2H3,(H2,23,33)(H2,22,24,25)