3-bromanyl-4-butoxy-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(2-thenoylamino)thiocarbamoyl]benzamide Formula: C17H18BrN3O3S2 MolecularWeight: 456.37712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CS2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CS2)Br

InChI

InChI=1S/C17H18BrN3O3S2/c1-2-3-8-24-13-7-6-11(10-12(13)18)15(22)19-17(25)21-20-16(23)14-5-4-9-26-14/h4-7,9-10H,2-3,8H2,1H3,(H,20,23)(H2,19,21,22,25)