3-bromanyl-4-butoxy-N-[(hexanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(hexanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(hexanoylamino)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(hexanoylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(caproylamino)thiocarbamoyl]benzamide Formula: C18H26BrN3O3S MolecularWeight: 444.38634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)OCCCC)Br

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)OCCCC)Br

InChI

InChI=1S/C18H26BrN3O3S/c1-3-5-7-8-16(23)21-22-18(26)20-17(24)13-9-10-15(14(19)12-13)25-11-6-4-2/h9-10,12H,3-8,11H2,1-2H3,(H,21,23)(H2,20,22,24,26)