tert-butyl 2-carbamothioyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate

Systemtic Name: tert-butyl 2-carbamothioyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate Openeye Name: tert-butyl 2-carbamothioyl-2-[[4-[(2-methyl-4-quinolyl)methoxy]phenyl]methyl]cyclopropanecarboxylate CAS Name: 2-carbamothioyl-2-[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]methyl]-1-cyclopropanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamothioyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate Traditional Name: 2-[4-[(2-methyl-4-quinolyl)methoxy]benzyl]-2-thiocarbamoyl-cyclopropanecarboxylic acid tert-butyl ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)CC4(CC4C(=O)OC(C)(C)C)C(=S)N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)CC4(CC4C(=O)OC(C)(C)C)C(=S)N

InChI

InChI=1S/C27H30N2O3S/c1-17-13-19(21-7-5-6-8-23(21)29-17)16-31-20-11-9-18(10-12-20)14-27(25(28)33)15-22(27)24(30)32-26(2,3)4/h5-13,22H,14-16H2,1-4H3,(H2,28,33)