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

Systemtic Name: N-(3-cyanophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-(3-cyanophenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-cyanophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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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)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=CC(=C4)C#N)OC

InChI

InChI=1S/C22H22N6O2S/c1-29-19-11-17-18(12-20(19)30-2)24-14-25-21(17)27-6-8-28(9-7-27)22(31)26-16-5-3-4-15(10-16)13-23/h3-5,10-12,14H,6-9H2,1-2H3,(H,26,31)