1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-7-methoxy-quinazolin-4-yl]-3-(2,6-dimethylphenyl)thiourea

Systemtic Name: 1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-7-methoxy-quinazolin-4-yl]-3-(2,6-dimethylphenyl)thiourea Openeye Name: 1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-7-methoxy-quinazolin-4-yl]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-7-methoxy-4-quinazolinyl]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-7-methoxyquinazolin-4-yl]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-7-methoxy-quinazolin-4-yl]-3-(2,6-dimethylphenyl)thiourea Formula: C27H26N4O4S MolecularWeight: 502.58474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC2=NC=NC3=CC(=C(C=C32)OCC4COC5=CC=CC=C5O4)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC2=NC=NC3=CC(=C(C=C32)OCC4COC5=CC=CC=C5O4)OC

InChI

InChI=1S/C27H26N4O4S/c1-16-7-6-8-17(2)25(16)30-27(36)31-26-19-11-24(23(32-3)12-20(19)28-15-29-26)34-14-18-13-33-21-9-4-5-10-22(21)35-18/h4-12,15,18H,13-14H2,1-3H3,(H2,28,29,30,31,36)