9H-fluoren-9-ylmethyl N-[[6-carbamothioyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[[6-carbamothioyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(6-carbamothioyl-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[[6-carbamothioyl-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[[6-carbamothioyl-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(2-isobutyl-1-keto-4-phenyl-6-thiocarbamoyl-3-isoquinolyl)methyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C36H33N3O3S MolecularWeight: 587.73052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=S)N)C3=CC=CC=C3)CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=S)N)C3=CC=CC=C3)CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C36H33N3O3S/c1-22(2)20-39-32(33(23-10-4-3-5-11-23)30-18-24(34(37)43)16-17-29(30)35(39)40)19-38-36(41)42-21-31-27-14-8-6-12-25(27)26-13-7-9-15-28(26)31/h3-18,22,31H,19-21H2,1-2H3,(H2,37,43)(H,38,41)