2-azanyl-3-methyl-1-[4-methyl-3-[(2-methyl-1,3-thiazolidin-4-yl)carbonyl]isoquinolin-1-yl]butan-1-one

Systemtic Name: 2-azanyl-3-methyl-1-[4-methyl-3-[(2-methyl-1,3-thiazolidin-4-yl)carbonyl]isoquinolin-1-yl]butan-1-one Openeye Name: 2-amino-3-methyl-1-[4-methyl-3-(2-methylthiazolidine-4-carbonyl)-1-isoquinolyl]butan-1-one CAS Name: 2-amino-3-methyl-1-[4-methyl-3-[(2-methyl-4-thiazolidinyl)-oxomethyl]-1-isoquinolinyl]-1-butanone IUPAC Name: 2-amino-3-methyl-1-[4-methyl-3-(2-methyl-1,3-thiazolidine-4-carbonyl)isoquinolin-1-yl]butan-1-one Traditional Name: 2-amino-3-methyl-1-[4-methyl-3-(2-methylthiazolidine-4-carbonyl)-1-isoquinolyl]butan-1-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC(CS1)C(=O)C2=C(C3=CC=CC=C3C(=N2)C(=O)C(C(C)C)N)C

Isomeric SMILES

CC1NC(CS1)C(=O)C2=C(C3=CC=CC=C3C(=N2)C(=O)C(C(C)C)N)C

InChI

InChI=1S/C20H25N3O2S/c1-10(2)16(21)20(25)18-14-8-6-5-7-13(14)11(3)17(23-18)19(24)15-9-26-12(4)22-15/h5-8,10,12,15-16,22H,9,21H2,1-4H3