3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-2H-1,2,4-thiadiazol-5-one

Systemtic Name: 3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-2H-1,2,4-thiadiazol-5-one Openeye Name: 3-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]-2H-1,2,4-thiadiazol-5-one CAS Name: 3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-2H-1,2,4-thiadiazol-5-one IUPAC Name: 3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-2H-1,2,4-thiadiazol-5-one Traditional Name: 3-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]-2H-1,2,4-thiadiazol-5-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=O)SN3)C4=CC=CC=C4)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=O)SN3)C4=CC=CC=C4)CN

InChI

InChI=1S/C22H22N4O2S/c1-13(2)12-26-18(11-23)19(14-6-4-3-5-7-14)17-10-15(8-9-16(17)21(26)27)20-24-22(28)29-25-20/h3-10,13H,11-12,23H2,1-2H3,(H,24,25,28)