1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-isoquinolin-5-yl-thiourea

Systemtic Name: 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-isoquinolin-5-yl-thiourea Openeye Name: 1-(2,2-dimethylchroman-4-yl)-3-(5-isoquinolyl)thiourea CAS Name: 1-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-(5-isoquinolinyl)thiourea IUPAC Name: 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-isoquinolin-5-ylthiourea Traditional Name: 1-(2,2-dimethylchroman-4-yl)-3-(5-isoquinolyl)thiourea Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2O1)NC(=S)NC3=CC=CC4=C3C=CN=C4)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2O1)NC(=S)NC3=CC=CC4=C3C=CN=C4)C

InChI

InChI=1S/C21H21N3OS/c1-21(2)12-18(16-7-3-4-9-19(16)25-21)24-20(26)23-17-8-5-6-14-13-22-11-10-15(14)17/h3-11,13,18H,12H2,1-2H3,(H2,23,24,26)