4-(6-methoxy-7-propan-2-yloxy-quinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6-methoxy-7-propan-2-yloxy-quinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(7-isopropoxy-6-methoxy-quinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6-methoxy-7-propan-2-yloxy-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6-methoxy-7-propan-2-yloxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(7-isopropoxy-6-methoxy-quinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C23H28N6O2S MolecularWeight: 452.57242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OC

Isomeric SMILES

CC(C)OC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OC

InChI

InChI=1S/C23H28N6O2S/c1-16(2)31-21-12-19-18(11-20(21)30-3)22(27-15-26-19)28-7-9-29(10-8-28)23(32)25-14-17-5-4-6-24-13-17/h4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,25,32)