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

Systemtic Name: 2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]-N-isopropyl-acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-16(2)22-20(25)15-27-19-13-24(18-10-6-5-9-17(18)19)14-21(26)23-11-7-3-4-8-12-23/h5-6,9-10,13,16H,3-4,7-8,11-12,14-15H2,1-2H3,(H,22,25)