3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbothioamide

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbothioamide Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-isoquinoline-6-carbothioamide CAS Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarbothioamide IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinoline-6-carbothioamide Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-isoquinoline-6-carbothioamide Formula: C19H27N3O2S MolecularWeight: 361.50158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=S)N)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=S)N)CC(C)C)CN

InChI

InChI=1S/C19H27N3O2S/c1-4-5-8-24-17-15-9-13(18(21)25)6-7-14(15)19(23)22(11-12(2)3)16(17)10-20/h6-7,9,12H,4-5,8,10-11,20H2,1-3H3,(H2,21,25)