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

Systemtic Name: 3-bromanyl-N-[(cyclohexylcarbonylamino)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[cyclohexyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(cyclohexanecarbonylamino)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(cyclohexanecarbonylamino)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H30BrN3O3S MolecularWeight: 484.4502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2CCCCC2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2CCCCC2)Br

InChI

InChI=1S/C21H30BrN3O3S/c1-2-3-4-8-13-28-18-12-11-16(14-17(18)22)19(26)23-21(29)25-24-20(27)15-9-6-5-7-10-15/h11-12,14-15H,2-10,13H2,1H3,(H,24,27)(H2,23,25,26,29)