4-(2-oxidanylideneazepan-3-yl)oxybenzenecarbothioamide

Systemtic Name: 4-(2-oxidanylideneazepan-3-yl)oxybenzenecarbothioamide Openeye Name: 4-(2-oxoazepan-3-yl)oxybenzenecarbothioamide CAS Name: 4-[(2-oxo-3-azepanyl)oxy]benzenecarbothioamide IUPAC Name: 4-(2-oxoazepan-3-yl)oxybenzenecarbothioamide Traditional Name: 4-(2-ketoazepan-3-yl)oxythiobenzamide Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H16N2O2S/c14-12(18)9-4-6-10(7-5-9)17-11-3-1-2-8-15-13(11)16/h4-7,11H,1-3,8H2,(H2,14,18)(H,15,16)