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

Systemtic Name: 1-[1,1-bis(oxidanylidene)spiro[3,4-dihydrothiochromene-2,1'-cyclobutane]-4-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-(1,1-dioxospiro[3,4-dihydrothiochromene-2,1'-cyclobutane]-4-yl)-3-(5-isoquinolyl)urea CAS Name: 1-(1,1-dioxo-4-spiro[3,4-dihydro-1-benzothiopyran-2,1'-cyclobutane]yl)-3-(5-isoquinolinyl)urea IUPAC Name: 1-(1,1-dioxospiro[3,4-dihydrothiochromene-2,1'-cyclobutane]-4-yl)-3-isoquinolin-5-ylurea Traditional Name: 1-(1,1-diketospiro[3,4-dihydrothiochromene-2,1'-cyclobutane]-4-yl)-3-(5-isoquinolyl)urea Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c26-21(24-18-7-3-5-15-14-23-12-9-16(15)18)25-19-13-22(10-4-11-22)29(27,28)20-8-2-1-6-17(19)20/h1-3,5-9,12,14,19H,4,10-11,13H2,(H2,24,25,26)