3-bromanyl-4-hexoxy-N-pyrrolidin-1-ylcarbothioyl-benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-pyrrolidin-1-ylcarbothioyl-benzamide Openeye Name: 3-bromo-4-hexoxy-N-(pyrrolidine-1-carbothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[1-pyrrolidinyl(sulfanylidene)methyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(pyrrolidine-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(pyrrolidine-1-carbothioyl)benzamide Formula: C18H25BrN2O2S MolecularWeight: 413.3723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC2)Br

InChI

InChI=1S/C18H25BrN2O2S/c1-2-3-4-7-12-23-16-9-8-14(13-15(16)19)17(22)20-18(24)21-10-5-6-11-21/h8-9,13H,2-7,10-12H2,1H3,(H,20,22,24)