1-isoquinolin-5-yl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl-thiourea

Systemtic Name: 1-isoquinolin-5-yl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl-thiourea Openeye Name: 1-(5-isoquinolyl)-3-spiro[chromane-2,1'-cyclobutane]-4-yl-thiourea CAS Name: 1-(5-isoquinolinyl)-3-(4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclobutane]yl)thiourea IUPAC Name: 1-isoquinolin-5-yl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylthiourea Traditional Name: 1-(5-isoquinolyl)-3-spiro[chroman-2,1'-cyclobutane]-4-yl-thiourea Formula: C22H21N3OS MolecularWeight: 375.48664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C1)CC(C3=CC=CC=C3O2)NC(=S)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CC2(C1)CC(C3=CC=CC=C3O2)NC(=S)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C22H21N3OS/c27-21(24-18-7-3-5-15-14-23-12-9-16(15)18)25-19-13-22(10-4-11-22)26-20-8-2-1-6-17(19)20/h1-3,5-9,12,14,19H,4,10-11,13H2,(H2,24,25,27)