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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-isoquinolin-6-yl-2-(2-methylpropyl)-1-oxidanylidene-1,3-thiazolidine-4-carbonitrile Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-2-(6-isoquinolyl)-1-oxo-1,3-thiazolidine-4-carbonitrile CAS Name: 3-(aminomethyl)-4-butoxy-2-(6-isoquinolinyl)-2-(2-methylpropyl)-1-oxo-1,3-thiazolidine-4-carbonitrile IUPAC Name: 3-(aminomethyl)-4-butoxy-2-isoquinolin-6-yl-2-(2-methylpropyl)-1-oxo-1,3-thiazolidine-4-carbonitrile Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-2-(6-isoquinolyl)-1-keto-1,3-thiazolidine-4-carbonitrile Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-4-5-10-28-21(14-23)15-29(27)22(12-17(2)3,26(21)16-24)20-7-6-19-13-25-9-8-18(19)11-20/h6-9,11,13,17H,4-5,10,12,15-16,24H2,1-3H3