N-[4-[4-(6-fluoranyl-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[4-(6-fluoranyl-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[4-(6-fluorobenzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]benzothiophene-2-carboxamide CAS Name: N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[4-(6-fluorobenzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]benzothiophene-2-carboxamide Formula: C26H28FN3OS2 MolecularWeight: 481.648423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CSC3=C2C=CC(=C3)F)CCCCNC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN(C1)C2=CSC3=C2C=CC(=C3)F)CCCCNC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C26H28FN3OS2/c27-20-8-9-21-22(18-32-24(21)17-20)30-13-5-12-29(14-15-30)11-4-3-10-28-26(31)25-16-19-6-1-2-7-23(19)33-25/h1-2,6-9,16-18H,3-5,10-15H2,(H,28,31)