3-bromanyl-N-[(hexanoylamino)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(hexanoylamino)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[(hexanoylamino)carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(hexanoylamino)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(caproylamino)thiocarbamoyl]-4-isobutoxy-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)OCC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrN3O3S/c1-4-5-6-7-16(23)21-22-18(26)20-17(24)13-8-9-15(14(19)10-13)25-11-12(2)3/h8-10,12H,4-7,11H2,1-3H3,(H,21,23)(H2,20,22,24,26)