1-isoquinolin-5-yl-3-spiro[3,4-dihydrothiochromene-2,1'-cyclobutane]-4-yl-urea

Systemtic Name: 1-isoquinolin-5-yl-3-spiro[3,4-dihydrothiochromene-2,1'-cyclobutane]-4-yl-urea Openeye Name: 1-(5-isoquinolyl)-3-spiro[cyclobutane-1,2'-thiochromane]-4'-yl-urea CAS Name: 1-(5-isoquinolinyl)-3-(4-spiro[3,4-dihydro-1-benzothiopyran-2,1'-cyclobutane]yl)urea IUPAC Name: 1-isoquinolin-5-yl-3-spiro[3,4-dihydrothiochromene-2,1'-cyclobutane]-4-ylurea Traditional Name: 1-(5-isoquinolyl)-3-spiro[cyclobutane-1,2'-thiochroman]-4'-yl-urea Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C1)CC(C3=CC=CC=C3S2)NC(=O)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CC2(C1)CC(C3=CC=CC=C3S2)NC(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C22H21N3OS/c26-21(24-18-7-3-5-15-14-23-12-9-16(15)18)25-19-13-22(10-4-11-22)27-20-8-2-1-6-17(19)20/h1-3,5-9,12,14,19H,4,10-11,13H2,(H2,24,25,26)