4-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbothioamide

Systemtic Name: 4-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbothioamide Openeye Name: 4-[2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]benzenecarbothioamide CAS Name: 4-[1-(1-azepanyl)-1-oxopropan-2-yl]oxybenzenecarbothioamide IUPAC Name: 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxybenzenecarbothioamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]thiobenzamide Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C16H22N2O2S/c1-12(16(19)18-10-4-2-3-5-11-18)20-14-8-6-13(7-9-14)15(17)21/h6-9,12H,2-5,10-11H2,1H3,(H2,17,21)