4-bromanyl-N-methyl-N-(8-pyrrolidin-1-yl-1,4-dioxaspiro[4.6]undecan-9-yl)benzenecarbothioamide

Systemtic Name: 4-bromanyl-N-methyl-N-(8-pyrrolidin-1-yl-1,4-dioxaspiro[4.6]undecan-9-yl)benzenecarbothioamide Openeye Name: 4-bromo-N-methyl-N-(8-pyrrolidin-1-yl-1,4-dioxaspiro[4.6]undecan-9-yl)benzenecarbothioamide CAS Name: 4-bromo-N-methyl-N-[8-(1-pyrrolidinyl)-1,4-dioxaspiro[4.6]undecan-9-yl]benzenecarbothioamide IUPAC Name: 4-bromo-N-methyl-N-(8-pyrrolidin-1-yl-1,4-dioxaspiro[4.6]undecan-9-yl)benzenecarbothioamide Traditional Name: 4-bromo-N-methyl-N-(8-pyrrolidino-1,4-dioxaspiro[4.6]undecan-9-yl)thiobenzamide Formula: C21H29BrN2O2S MolecularWeight: 453.43616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC2(CCC1N3CCCC3)OCCO2)C(=S)C4=CC=C(C=C4)Br

Isomeric SMILES

CN(C1CCC2(CCC1N3CCCC3)OCCO2)C(=S)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H29BrN2O2S/c1-23(20(27)16-4-6-17(22)7-5-16)18-8-10-21(25-14-15-26-21)11-9-19(18)24-12-2-3-13-24/h4-7,18-19H,2-3,8-15H2,1H3