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

Systemtic Name: 1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-piperazine-2-carbothioamide Openeye Name: 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-piperazine-2-carbothioamide CAS Name: 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-2-piperazinecarbothioamide IUPAC Name: 1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-2-carbothioamide Traditional Name: 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-piperazine-2-carbothioamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCNCC3C(=S)NC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCNCC3C(=S)NC4=CC=CC=C4)N)OC

InChI

InChI=1S/C21H24N6O2S/c1-28-17-10-14-15(11-18(17)29-2)25-21(26-19(14)22)27-9-8-23-12-16(27)20(30)24-13-6-4-3-5-7-13/h3-7,10-11,16,23H,8-9,12H2,1-2H3,(H,24,30)(H2,22,25,26)