1-(2,2-dimethyl-3,4-dihydrothiochromen-4-yl)-3-(1-methylisoquinolin-5-yl)urea

Systemtic Name: 1-(2,2-dimethyl-3,4-dihydrothiochromen-4-yl)-3-(1-methylisoquinolin-5-yl)urea Openeye Name: 1-(2,2-dimethylthiochroman-4-yl)-3-(1-methyl-5-isoquinolyl)urea CAS Name: 1-(2,2-dimethyl-3,4-dihydro-1-benzothiopyran-4-yl)-3-(1-methyl-5-isoquinolinyl)urea IUPAC Name: 1-(2,2-dimethyl-3,4-dihydrothiochromen-4-yl)-3-(1-methylisoquinolin-5-yl)urea Traditional Name: 1-(2,2-dimethylthiochroman-4-yl)-3-(1-methyl-5-isoquinolyl)urea Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CC(SC4=CC=CC=C34)(C)C

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CC(SC4=CC=CC=C34)(C)C

InChI

InChI=1S/C22H23N3OS/c1-14-15-8-6-9-18(16(15)11-12-23-14)24-21(26)25-19-13-22(2,3)27-20-10-5-4-7-17(19)20/h4-12,19H,13H2,1-3H3,(H2,24,25,26)