N-[2-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[3-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-fluorobenzamide Traditional Name: N-[2-[3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-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=C(C=C4)F

Isomeric SMILES

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

InChI

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