2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]thiazole-4-carboxamide CAS Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-4-thiazolecarboxamide IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]thiazole-4-carboxamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=CS3)C(=O)N)C4=CC=CC=C4)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=CS3)C(=O)N)C4=CC=CC=C4)CN

InChI

InChI=1S/C24H24N4O2S/c1-14(2)12-28-20(11-25)21(15-6-4-3-5-7-15)18-10-16(8-9-17(18)24(28)30)23-27-19(13-31-23)22(26)29/h3-10,13-14H,11-12,25H2,1-2H3,(H2,26,29)