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

Systemtic Name: 3-bromanyl-4-butoxy-N-pyrrolidin-1-ylcarbothioyl-benzamide Openeye Name: 3-bromo-4-butoxy-N-(pyrrolidine-1-carbothioyl)benzamide CAS Name: 3-bromo-4-butoxy-N-[1-pyrrolidinyl(sulfanylidene)methyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-(pyrrolidine-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-butoxy-N-(pyrrolidine-1-carbothioyl)benzamide Formula: C16H21BrN2O2S MolecularWeight: 385.31914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC2)Br

InChI

InChI=1S/C16H21BrN2O2S/c1-2-3-10-21-14-7-6-12(11-13(14)17)15(20)18-16(22)19-8-4-5-9-19/h6-7,11H,2-5,8-10H2,1H3,(H,18,20,22)