3-(3-methylphenyl)-1-[2-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-(3-methylphenyl)-1-[2-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 1-(2-methyl-4-thiazol-2-yl-piperazin-1-yl)-3-(m-tolyl)prop-2-yn-1-one CAS Name: 3-(3-methylphenyl)-1-[2-methyl-4-(2-thiazolyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(3-methylphenyl)-1-[2-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 1-(2-methyl-4-thiazol-2-yl-piperazino)-3-(m-tolyl)prop-2-yn-1-one Formula: C18H19N3OS MolecularWeight: 325.42796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C#CC2=CC(=CC=C2)C)C3=NC=CS3

Isomeric SMILES

CC1CN(CCN1C(=O)C#CC2=CC(=CC=C2)C)C3=NC=CS3

InChI

InChI=1S/C18H19N3OS/c1-14-4-3-5-16(12-14)6-7-17(22)21-10-9-20(13-15(21)2)18-19-8-11-23-18/h3-5,8,11-12,15H,9-10,13H2,1-2H3