3-(aminomethyl)-4-butoxy-2-isoquinolin-6-yl-2-(2-methylpropyl)-1-oxidanylidene-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-isoquinolin-6-yl-2-(2-methylpropyl)-1-oxidanylidene-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-2-(6-isoquinolyl)-1-oxo-1,3-thiazolidine-4-carboxylic acid CAS Name: 3-(aminomethyl)-4-butoxy-2-(6-isoquinolinyl)-2-(2-methylpropyl)-1-oxo-1,3-thiazolidine-4-carboxylic acid IUPAC Name: 3-(aminomethyl)-4-butoxy-2-isoquinolin-6-yl-2-(2-methylpropyl)-1-oxo-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-2-(6-isoquinolyl)-1-keto-1,3-thiazolidine-4-carboxylic acid Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(CS(=O)C(N1CN)(CC(C)C)C2=CC3=C(C=C2)C=NC=C3)C(=O)O

Isomeric SMILES

CCCCOC1(CS(=O)C(N1CN)(CC(C)C)C2=CC3=C(C=C2)C=NC=C3)C(=O)O

InChI

InChI=1S/C22H31N3O4S/c1-4-5-10-29-21(20(26)27)14-30(28)22(12-16(2)3,25(21)15-23)19-7-6-18-13-24-9-8-17(18)11-19/h6-9,11,13,16H,4-5,10,12,14-15,23H2,1-3H3,(H,26,27)