3-(4-aminophenyl)-1-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-(4-aminophenyl)-1-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(4-aminophenyl)-1-[4-(4-tert-butylthiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one CAS Name: 3-(4-aminophenyl)-1-[4-(4-tert-butyl-2-thiazolyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-aminophenyl)-1-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-(4-aminophenyl)-1-[4-(4-tert-butylthiazol-2-yl)piperazino]prop-2-yn-1-one Formula: C20H24N4OS MolecularWeight: 368.49576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)N2CCN(CC2)C(=O)C#CC3=CC=C(C=C3)N

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)N2CCN(CC2)C(=O)C#CC3=CC=C(C=C3)N

InChI

InChI=1S/C20H24N4OS/c1-20(2,3)17-14-26-19(22-17)24-12-10-23(11-13-24)18(25)9-6-15-4-7-16(21)8-5-15/h4-5,7-8,14H,10-13,21H2,1-3H3