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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=CN(C2=CC=CC=C21)CC(=O)N3CCCCCC3

Isomeric SMILES

CCCNC(=O)CSC1=CN(C2=CC=CC=C21)CC(=O)N3CCCCCC3

InChI

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