3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]benzenecarbothioamide

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]benzenecarbothioamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethoxy]benzenecarbothioamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethoxy]benzenecarbothioamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethoxy]thiobenzamide Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C15H20N2O2S/c16-15(20)12-6-5-7-13(10-12)19-11-14(18)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H2,16,20)