2-[2-(azocan-1-yl)-2-oxidanylidene-ethoxy]benzenecarbothioamide

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethoxy]benzenecarbothioamide Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethoxy]benzenecarbothioamide CAS Name: 2-[2-(1-azocanyl)-2-oxoethoxy]benzenecarbothioamide IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethoxy]benzenecarbothioamide Traditional Name: 2-[2-(azocan-1-yl)-2-keto-ethoxy]thiobenzamide Formula: C16H22N2O2S MolecularWeight: 306.42308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC2=CC=CC=C2C(=S)N

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C16H22N2O2S/c17-16(21)13-8-4-5-9-14(13)20-12-15(19)18-10-6-2-1-3-7-11-18/h4-5,8-9H,1-3,6-7,10-12H2,(H2,17,21)