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

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]thiazole-4-carboxylic acid CAS Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]thiazole-4-carboxylic acid Formula: C24H23N3O3S MolecularWeight: 433.52272

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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)O)C4=CC=CC=C4)CN

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S/c1-14(2)12-27-20(11-25)21(15-6-4-3-5-7-15)18-10-16(8-9-17(18)23(27)28)22-26-19(13-31-22)24(29)30/h3-10,13-14H,11-12,25H2,1-2H3,(H,29,30)