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

Systemtic Name: 9H-fluoren-9-ylmethyl N-[[4-butoxy-6-carbamothioyl-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(4-butoxy-6-carbamothioyl-2-isobutyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[[4-butoxy-6-carbamothioyl-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[[4-butoxy-6-carbamothioyl-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-2-isobutyl-1-keto-6-thiocarbamoyl-3-isoquinolyl)methyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C34H37N3O4S MolecularWeight: 583.74028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=S)N)CC(C)C)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=S)N)CC(C)C)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C34H37N3O4S/c1-4-5-16-40-31-28-17-22(32(35)42)14-15-27(28)33(38)37(19-21(2)3)30(31)18-36-34(39)41-20-29-25-12-8-6-10-23(25)24-11-7-9-13-26(24)29/h6-15,17,21,29H,4-5,16,18-20H2,1-3H3,(H2,35,42)(H,36,39)