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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCCC(CC1N2CCCC2)(OCC)OCC)C(=S)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCN(C1CCCC(CC1N2CCCC2)(OCC)OCC)C(=S)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H39BrN2O2S/c1-4-16-28(24(31)20-11-13-21(26)14-12-20)22-10-9-15-25(29-5-2,30-6-3)19-23(22)27-17-7-8-18-27/h11-14,22-23H,4-10,15-19H2,1-3H3