4-bromanyl-N-(3,3-diethoxy-2-pyrrolidin-1-yl-cycloheptyl)-N-propyl-benzenecarbothioamide

Systemtic Name: 4-bromanyl-N-(3,3-diethoxy-2-pyrrolidin-1-yl-cycloheptyl)-N-propyl-benzenecarbothioamide Openeye Name: 4-bromo-N-(3,3-diethoxy-2-pyrrolidin-1-yl-cycloheptyl)-N-propyl-benzenecarbothioamide CAS Name: 4-bromo-N-[3,3-diethoxy-2-(1-pyrrolidinyl)cycloheptyl]-N-propylbenzenecarbothioamide IUPAC Name: 4-bromo-N-(3,3-diethoxy-2-pyrrolidin-1-ylcycloheptyl)-N-propylbenzenecarbothioamide Traditional Name: 4-bromo-N-(3,3-diethoxy-2-pyrrolidino-cycloheptyl)-N-propyl-thiobenzamide Formula: C25H39BrN2O2S MolecularWeight: 511.55836

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCCCC(C1N2CCCC2)(OCC)OCC)C(=S)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCN(C1CCCCC(C1N2CCCC2)(OCC)OCC)C(=S)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H39BrN2O2S/c1-4-17-28(24(31)20-12-14-21(26)15-13-20)22-11-7-8-16-25(29-5-2,30-6-3)23(22)27-18-9-10-19-27/h12-15,22-23H,4-11,16-19H2,1-3H3