4-(6-ethoxy-7-methoxy-quinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6-ethoxy-7-methoxy-quinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6-ethoxy-7-methoxy-quinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6-ethoxy-7-methoxy-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6-ethoxy-7-methoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(6-ethoxy-7-methoxy-quinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OC

InChI

InChI=1S/C22H26N6O2S/c1-3-30-20-11-17-18(12-19(20)29-2)25-15-26-21(17)27-7-9-28(10-8-27)22(31)24-14-16-5-4-6-23-13-16/h4-6,11-13,15H,3,7-10,14H2,1-2H3,(H,24,31)