N-[2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,3-thiazol-4-yl]ethanamide

Systemtic Name: N-[2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,3-thiazol-4-yl]ethanamide Openeye Name: N-[2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]thiazol-4-yl]acetamide CAS Name: N-[2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-4-thiazolyl]acetamide IUPAC Name: N-[2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-1,3-thiazol-4-yl]acetamide Traditional Name: N-[2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]thiazol-4-yl]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2S/c1-15(2)13-29-21(12-26)23(17-7-5-4-6-8-17)20-11-18(9-10-19(20)25(29)31)24-28-22(14-32-24)27-16(3)30/h4-11,14-15H,12-13,26H2,1-3H3,(H,27,30)