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

Systemtic Name: 3-(4-aminophenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(4-aminophenyl)-1-(4-thiazol-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(4-aminophenyl)-1-[4-(2-thiazolyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-aminophenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-(4-aminophenyl)-1-(4-thiazol-2-ylpiperazino)prop-2-yn-1-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CS2)C(=O)C#CC3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CCN1C2=NC=CS2)C(=O)C#CC3=CC=C(C=C3)N

InChI

InChI=1S/C16H16N4OS/c17-14-4-1-13(2-5-14)3-6-15(21)19-8-10-20(11-9-19)16-18-7-12-22-16/h1-2,4-5,7,12H,8-11,17H2