4-[2-(azocan-1-yl)-2-oxidanylidene-ethoxy]benzenecarbothioamide

Systemtic Name: 4-[2-(azocan-1-yl)-2-oxidanylidene-ethoxy]benzenecarbothioamide Openeye Name: 4-[2-(azocan-1-yl)-2-oxo-ethoxy]benzenecarbothioamide CAS Name: 4-[2-(1-azocanyl)-2-oxoethoxy]benzenecarbothioamide IUPAC Name: 4-[2-(azocan-1-yl)-2-oxoethoxy]benzenecarbothioamide Traditional Name: 4-[2-(azocan-1-yl)-2-keto-ethoxy]thiobenzamide Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C16H22N2O2S/c17-16(21)13-6-8-14(9-7-13)20-12-15(19)18-10-4-2-1-3-5-11-18/h6-9H,1-5,10-12H2,(H2,17,21)