2-butyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-[(2-methylthiazol-4-yl)methyl]piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-[(2-methylthiazol-4-yl)methyl]piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC(=N4)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC(=N4)C

InChI

InChI=1S/C22H26N4O3S/c1-3-4-7-26-21(28)18-6-5-16(12-19(18)22(26)29)20(27)25-10-8-24(9-11-25)13-17-14-30-15(2)23-17/h5-6,12,14H,3-4,7-11,13H2,1-2H3