2-butyl-4-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one

Systemtic Name: 2-butyl-4-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one Openeye Name: 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-2-butyl-1,1-dioxo-5-phenyl-isothiazol-3-one CAS Name: 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-2-butyl-1,1-dioxo-5-phenyl-3-isothiazolone IUPAC Name: 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-2-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one Traditional Name: 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-2-butyl-1,1-diketo-5-phenyl-isothiazol-3-one Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-3-4-13-27-24(29)22(23(32(27,30)31)18-8-6-5-7-9-18)25-21-11-10-20-16-26(17(2)28)14-12-19(20)15-21/h5-11,15,25H,3-4,12-14,16H2,1-2H3