5-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[(3-ethoxypropanoylamino)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C18H26BrN3O4S MolecularWeight: 460.38574

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC(C)C

Isomeric SMILES

CCOCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC(C)C

InChI

InChI=1S/C18H26BrN3O4S/c1-4-25-9-8-16(23)21-22-18(27)20-17(24)14-11-13(19)5-6-15(14)26-10-7-12(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,23)(H2,20,22,24,27)