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

Systemtic Name: 2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanyl-N-(2-methoxyethyl)acetamide CAS Name: 2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-methoxyethyl)acetamide Traditional Name: 2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]-N-(2-methoxyethyl)acetamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-27-13-10-22-20(25)16-28-19-14-24(18-9-5-4-8-17(18)19)15-21(26)23-11-6-2-3-7-12-23/h4-5,8-9,14H,2-3,6-7,10-13,15-16H2,1H3,(H,22,25)