N-[5-ethyl-3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(3-fluorophenyl)-(4-phenyl-1-piperazinyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(3-fluorophenyl)-(4-phenylpiperazino)methyl]-2-thienyl]benzamide Formula: C30H30FN3OS MolecularWeight: 499.642103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=CC=C3)F)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=CC=C3)F)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C30H30FN3OS/c1-2-26-21-27(30(36-26)32-29(35)22-10-5-3-6-11-22)28(23-12-9-13-24(31)20-23)34-18-16-33(17-19-34)25-14-7-4-8-15-25/h3-15,20-21,28H,2,16-19H2,1H3,(H,32,35)