tert-butyl N-[4-[(4-methylsulfanylisoquinolin-5-yl)amino]cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-[(4-methylsulfanylisoquinolin-5-yl)amino]cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[(4-methylsulfanyl-5-isoquinolyl)amino]cyclohexyl]carbamate CAS Name: N-[4-[[4-(methylthio)-5-isoquinolinyl]amino]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(4-methylsulfanylisoquinolin-5-yl)amino]cyclohexyl]carbamate Traditional Name: N-[4-[[4-(methylthio)-5-isoquinolyl]amino]cyclohexyl]carbamic acid tert-butyl ester Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CC1)NC2=CC=CC3=CN=CC(=C32)SC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)NC2=CC=CC3=CN=CC(=C32)SC

InChI

InChI=1S/C21H29N3O2S/c1-21(2,3)26-20(25)24-16-10-8-15(9-11-16)23-17-7-5-6-14-12-22-13-18(27-4)19(14)17/h5-7,12-13,15-16,23H,8-11H2,1-4H3,(H,24,25)