N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(3-thienylmethyl)piperazin-1-yl]acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(3-thenyl)piperazino]acetamide Formula: C18H22FN3OS MolecularWeight: 347.450183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CSC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CSC=C3)F

InChI

InChI=1S/C18H22FN3OS/c1-14-2-3-16(10-17(14)19)20-18(23)12-22-7-5-21(6-8-22)11-15-4-9-24-13-15/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,20,23)