3-bromanyl-N-[(2-ethoxyethanoylamino)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-ethoxyethanoylamino)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[(2-ethoxyacetyl)amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[(2-ethoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[(2-ethoxyacetyl)amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[(2-ethoxyacetyl)amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C18H26BrN3O4S MolecularWeight: 460.38574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COCC)Br

InChI

InChI=1S/C18H26BrN3O4S/c1-3-5-6-7-10-26-15-9-8-13(11-14(15)19)17(24)20-18(27)22-21-16(23)12-25-4-2/h8-9,11H,3-7,10,12H2,1-2H3,(H,21,23)(H2,20,22,24,27)