N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide

Systemtic Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide Openeye Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide CAS Name: N-[4-[4-(2-fluorophenyl)-1-piperazinyl]butyl]-2,2-dimethyl-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-2,2-dimethylthiochromene-3-carboxamide Traditional Name: N-[4-[4-(2-fluorophenyl)piperazino]butyl]-2,2-dimethyl-thiochromene-3-carboxamide Formula: C26H32FN3OS MolecularWeight: 453.615183

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC2=CC=CC=C2S1)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4F)C

Isomeric SMILES

CC1(C(=CC2=CC=CC=C2S1)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C26H32FN3OS/c1-26(2)21(19-20-9-3-6-12-24(20)32-26)25(31)28-13-7-8-14-29-15-17-30(18-16-29)23-11-5-4-10-22(23)27/h3-6,9-12,19H,7-8,13-18H2,1-2H3,(H,28,31)