4-bromanyl-N-ethyl-N-(9-pyrrolidin-1-yl-1,4-dioxaspiro[4.6]undecan-10-yl)benzenecarbothioamide

Systemtic Name: 4-bromanyl-N-ethyl-N-(9-pyrrolidin-1-yl-1,4-dioxaspiro[4.6]undecan-10-yl)benzenecarbothioamide Openeye Name: 4-bromo-N-ethyl-N-(9-pyrrolidin-1-yl-1,4-dioxaspiro[4.6]undecan-10-yl)benzenecarbothioamide CAS Name: 4-bromo-N-ethyl-N-[9-(1-pyrrolidinyl)-1,4-dioxaspiro[4.6]undecan-10-yl]benzenecarbothioamide IUPAC Name: 4-bromo-N-ethyl-N-(9-pyrrolidin-1-yl-1,4-dioxaspiro[4.6]undecan-10-yl)benzenecarbothioamide Traditional Name: 4-bromo-N-ethyl-N-(9-pyrrolidino-1,4-dioxaspiro[4.6]undecan-10-yl)thiobenzamide Formula: C22H31BrN2O2S MolecularWeight: 467.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CC2(CCCC1N3CCCC3)OCCO2)C(=S)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1CC2(CCCC1N3CCCC3)OCCO2)C(=S)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H31BrN2O2S/c1-2-25(21(28)17-7-9-18(23)10-8-17)20-16-22(26-14-15-27-22)11-5-6-19(20)24-12-3-4-13-24/h7-10,19-20H,2-6,11-16H2,1H3