4-(azepan-1-ylmethyl)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]benzamide CAS Name: 4-(1-azepanylmethyl)-N-[3-[(4-fluorophenyl)methylthio]propyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[3-[(4-fluorobenzyl)thio]propyl]benzamide Formula: C24H31FN2OS MolecularWeight: 414.579143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NCCCSCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NCCCSCC3=CC=C(C=C3)F

InChI

InChI=1S/C24H31FN2OS/c25-23-12-8-21(9-13-23)19-29-17-5-14-26-24(28)22-10-6-20(7-11-22)18-27-15-3-1-2-4-16-27/h6-13H,1-5,14-19H2,(H,26,28)