4-(6-methoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6-methoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6-methoxyquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6-methoxy-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6-methoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(6-methoxyquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C20H22N6OS/c1-27-16-4-5-18-17(11-16)19(24-14-23-18)25-7-9-26(10-8-25)20(28)22-13-15-3-2-6-21-12-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,28)