2-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,2-thiazol-3-one

Systemtic Name: 2-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,2-thiazol-3-one Openeye Name: 2-butyl-1,1-dioxo-5-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)isothiazol-3-one CAS Name: 2-butyl-1,1-dioxo-5-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-3-isothiazolone IUPAC Name: 2-butyl-1,1-dioxo-5-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,2-thiazol-3-one Traditional Name: 2-butyl-1,1-diketo-5-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)isothiazol-3-one Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC4=C(CNCC4)C=C3

Isomeric SMILES

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC4=C(CNCC4)C=C3

InChI

InChI=1S/C22H25N3O3S/c1-2-3-13-25-22(26)20(21(29(25,27)28)16-7-5-4-6-8-16)24-19-10-9-18-15-23-12-11-17(18)14-19/h4-10,14,23-24H,2-3,11-13,15H2,1H3