3-bromanyl-4-butoxy-N-carbamothioyl-benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-carbamothioyl-benzamide Openeye Name: 3-bromo-4-butoxy-N-carbamothioyl-benzamide CAS Name: 3-bromo-4-butoxy-N-carbamothioylbenzamide IUPAC Name: 3-bromo-4-butoxy-N-carbamothioylbenzamide Traditional Name: 3-bromo-4-butoxy-N-thiocarbamoyl-benzamide Formula: C12H15BrN2O2S MolecularWeight: 331.2287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O2S/c1-2-3-6-17-10-5-4-8(7-9(10)13)11(16)15-12(14)18/h4-5,7H,2-3,6H2,1H3,(H3,14,15,16,18)