N-[2-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-2-fluoro-benzamide CAS Name: N-[2-[3-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-indolyl]ethyl]-2-fluorobenzamide IUPAC Name: N-[2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-fluorobenzamide Traditional Name: N-[2-[3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]indol-1-yl]ethyl]-2-fluoro-benzamide Formula: C25H28FN3O2S MolecularWeight: 453.572123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H28FN3O2S/c26-21-11-5-3-9-19(21)25(31)27-13-16-29-17-23(20-10-4-6-12-22(20)29)32-18-24(30)28-14-7-1-2-8-15-28/h3-6,9-12,17H,1-2,7-8,13-16,18H2,(H,27,31)