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

Systemtic Name: N-[2-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-[3-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-indolyl]ethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]indol-1-yl]ethyl]-3-(trifluoromethyl)benzamide Formula: C26H28F3N3O2S MolecularWeight: 503.57963

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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=C4)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C26H28F3N3O2S/c27-26(28,29)20-9-7-8-19(16-20)25(34)30-12-15-32-17-23(21-10-3-4-11-22(21)32)35-18-24(33)31-13-5-1-2-6-14-31/h3-4,7-11,16-17H,1-2,5-6,12-15,18H2,(H,30,34)