2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N,N-diethyl-ethanamide

Systemtic Name: 2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]-N,N-diethyl-acetamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=CN(C2=CC=CC=C21)CC(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC)C(=O)CSC1=CN(C2=CC=CC=C21)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H31N3O2S/c1-3-23(4-2)22(27)17-28-20-15-25(19-12-8-7-11-18(19)20)16-21(26)24-13-9-5-6-10-14-24/h7-8,11-12,15H,3-6,9-10,13-14,16-17H2,1-2H3