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

Systemtic Name: N-[2-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[3-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[3-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-fluorobenzamide Traditional Name: N-[2-[3-[[2-(cyclohexylamino)-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:

C1CCC(CC1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H28FN3O2S/c26-19-12-10-18(11-13-19)25(31)27-14-15-29-16-23(21-8-4-5-9-22(21)29)32-17-24(30)28-20-6-2-1-3-7-20/h4-5,8-13,16,20H,1-3,6-7,14-15,17H2,(H,27,31)(H,28,30)